file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,007,906 | 5.872 | 0.002 | 10.529 | 0.002 | 19.096 | 0.005 | 105.01 | 0.02 | 93.85 | 0.02 | 105 | 0.02 | 1,090 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Methyl 6-Chloro-9-purine-9-acetate | ethyl 6-chloropurine-9-acetate | - C9 H9 Cl N4 O2 - | - C9 H9 Cl N4 O2 - | - C36 H36 Cl4 N16 O8 - | 4 | 2 | CF1279 | Sood, Geeta; Schwalbe, Carl H.; Fraser, William | 9-(Carboxymethyl)-6-chloropurine Ethyl Ester | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1907 | 1909 | 10.1107/S0108270198012360 | 1.54178 | CuKα | 0.087 | 0.078 | null | 0.234 | 0.226 | null | null | null | 1.099 | 1.148 | 1.148 | null | null | null | has coordinates | Sood, Geeta; Schwalbe, Carl H.; Fraser, William
9-(Carboxymethyl)-6-chloropurine Ethyl Ester
Acta Crystallographica Section C
54(12)
(1998)
1907-1909 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007906.cif $
#-------------------------------------------------------------------... | |||||||||
7,106,488 | 16.6949 | 0.0007 | 16.6949 | 0.0007 | 105.524 | 0.009 | 90 | null | 90 | null | 120 | null | 25,471 | 3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | R -3 c :H | -R 3 2"c | 167 | hexaaquodi((+/-)-2,7,12-trimethoxy-3,8,13-tris(4-(5- pyrimidyl)benzoyl)-10,15-dihydro-5H- tribenzo(a,d,g)cyclononane)triscopper(ii) nitrate | hexaaquodi[(+/-)-2,7,12-trimethoxy-3,8,13-tris[4- (5-pyrimidyl)benzoyl]-10,15-dihydro-5H- tribenzo[a,d,g]cyclononane]triscopper(II) nitrate | - C114 H96 Cu3 N18 O45 - | - C114 H84 Cu3 N15 O33 - | - C684 H504 Cu18 N90 O198 - | 6 | 0.166667 | James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie | M3L2 metallo-cryptophanes: [2]catenane and simple cages | Chem.Commun. | 2,011 | 47 | 6560 | 10.1039/c1cc10806a | 0.71073 | MoKα | 0.1041 | 0.0927 | null | null | 0.31 | 0.3215 | null | null | null | null | null | 1.402 | null | null | has coordinates,has disorder | James J. Henkelis; Tanya K. Ronson; Lindsay P. Harding; Michaele J. Hardie
M3L2 metallo-cryptophanes: [2]catenane and simple cages
Chem.Commun.
47
(2011)
6560 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106488.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,007,907 | 7.185 | 0.001 | 15.46 | 0.001 | 10.254 | 0.001 | 90 | null | 97.41 | 0.007 | 90 | null | 1,129.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione | - C24 H31 Br O4 - | - C24 H31 Br O4 - | - C48 H62 Br2 O8 - | 2 | 1 | DA1005 | Soriano-García, Manuel; Hernández-Ortega, Simón; Bratoeff, Eugene; Flores, Gregoria; Ramírez, Elena | 17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione | Acta Crystallographica Section C | 1,998 | 54 | 12 | 2022 | 2024 | 10.1107/S010827019800211X | 0.71073 | MoKα | 0.111 | 0.048 | null | 0.11 | null | 0.095 | null | null | 1.001 | null | null | 1.001 | null | null | has coordinates | Soriano-García, Manuel; Hernández-Ortega, Simón; Bratoeff, Eugene; Flores, Gregoria; Ramírez, Elena
17α-Acetoxy-6-bromo-16β-methylpregna-4,6-diene-3,20-dione
Acta Crystallographica Section C
54(12)
(1998)
2022-2024 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007907.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,908 | 8.777 | 0.002 | 12.557 | 0.002 | 27.324 | 0.005 | 90 | null | 90 | null | 90 | null | 3,011.5 | 1 | 298 | null | 298 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3-benzoyl-4-hydroxy-6-6-dimethyl-1,5,7-tri(3-methyl-2-butenyl)bicyclo[3.3.1] non-3-ene-2,9-dione | - C33 H42 O4 - | - C33 H42 O4 - | - C132 H168 O16 - | 4 | 1 | DA1009 | Santos, Marcelo H.; Speziali, Nivaldo L.; Nagem, Tanus J.; Oliveira, Tânia T. | Epiclusianone: a New Natural Product Derivative of Bicyclo[3.3.1]nonane-2,4,9-trione | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1990 | 1992 | 10.1107/S0108270198006477 | 0.71073 | MoKα | null | 0.0648 | null | null | 0.0585 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Santos, Marcelo H.; Speziali, Nivaldo L.; Nagem, Tanus J.; Oliveira, Tânia T.
Epiclusianone: a New Natural Product Derivative of Bicyclo[3.3.1]nonane-2,4,9-trione
Acta Crystallographica Section C
54(12)
(1998)
1990-1992 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007908.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,909 | 9.4915 | 0.001 | 10.3342 | 0.0008 | 9.193 | 0.0009 | 89.607 | 0.007 | 90.489 | 0.008 | 93.555 | 0.008 | 899.93 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(dihydroxophosphato) [(1SR,4SR,8RS,11RS)-1,4,8,11-tetraazacyclotetradecane-κ^4^N]nickel(II) | - C10 H28 N4 Ni O8 P2 - | - C10 H28 N4 Ni O8 P2 - | - C20 H56 N8 Ni2 O16 P4 - | 2 | 1 | DA1017 | Namouchi Cherni, Saoussen; Driss, Ahmed; El Maaoui, Mohamed; Jouini, Tahar | Bis(dihydrogen phosphato-<i>O</i>)[(1<i>SR</i>,4<i>SR</i>,8<i>RS</i>,11<i>RS</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1768 | 1770 | 10.1107/S0108270198008245 | 0.71069 | MoKα | 0.0269 | 0.0218 | null | 0.057 | 0.0542 | null | null | null | 1.066 | 1.084 | 1.084 | null | null | null | has coordinates | Namouchi Cherni, Saoussen; Driss, Ahmed; El Maaoui, Mohamed; Jouini, Tahar
Bis(dihydrogen phosphato-<i>O</i>)[(1<i>SR</i>,4<i>SR</i>,8<i>RS</i>,11<i>RS</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II)
Acta Crystallographica Section C
54(12)
(1998)
1768-1770 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007909.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,910 | 10.571 | 0.003 | 6.3565 | 0.0015 | 24.36 | 0.01 | 90 | null | 100.37 | 0.04 | 90 | null | 1,610.1 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-aza-1-tertbuthyl-4-methyl-9-methoxy-1,2,3,4-tetrahydro-fluoren-2-one. | - C18 H23 N O2 - | - C18 H23 N O2 - | - C72 H92 N4 O8 - | 4 | 1 | DA1018 | García-Granda, Santiago; Santiago-García, Rafael; Sanni, S. Bamidele; Suárez-Sobrino, Angel; Santamaría, Javier | 1-<i>tert</i>-Butyl-9-methoxy-4-methyl-1,2,3,4-tetrahydro-2-azafluoren-3-one, a Novel Fluorenone | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1961 | 1963 | 10.1107/S0108270198008257 | 0.71073 | MoKα | 0.172 | 0.048 | null | null | null | 0.145 | null | null | null | null | null | 0.979 | null | null | has coordinates | García-Granda, Santiago; Santiago-García, Rafael; Sanni, S. Bamidele; Suárez-Sobrino, Angel; Santamaría, Javier
1-<i>tert</i>-Butyl-9-methoxy-4-methyl-1,2,3,4-tetrahydro-2-azafluoren-3-one, a Novel Fluorenone
Acta Crystallographica Section C
54(12)
(1998)
1961-1963 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007910.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,911 | 16.476 | 0.001 | 16.476 | 0.001 | 16.476 | 0.001 | 90 | null | 90 | null | 90 | null | 4,472.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -4 3 n | P -4n 2 3 | 218 | tris(methylacetylacetonato)cobalt(III) | Tris(O,O'-4-methyl-2,4-pentanedionato)cobalt(III) | - C18 H29.3 Co O7.65 - | - C18 H27 Co O7.657 - | - C144 H216 Co8 O61.256 - | 8 | 0.333333 | DA1026 | Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C. | Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1807 | 1809 | 10.1107/S0108270198008592 | 1.5418 | CuKα | 0.069 | 0.051 | null | 0.158 | 0.143 | null | null | null | 1.138 | 1.212 | 1.212 | null | null | null | has coordinates | Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C.
Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III)
Acta Crystallographica Section C
54(12)
(1998)
1807-1809 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007911.cif $
#-------------------------------------------------------------------... | |||||||||
2,229,932 | 8.6454 | 0.0005 | 9.044 | 0.0004 | 9.7182 | 0.0006 | 83.306 | 0.004 | 70.956 | 0.005 | 81.523 | 0.004 | 708.51 | 0.07 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5- triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride | - C15 H14 Cl N5 - | - C15 H14 Cl N5 - | - C30 H28 Cl2 N10 - | 2 | 1 | BT5515 | Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng | 2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5-triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1154 | 10.1107/S1600536811013766 | 1.54184 | CuKα | 0.0413 | 0.0395 | null | null | 0.1045 | 0.1063 | null | null | null | null | null | 1.013 | null | null | has coordinates,has disorder,has Fobs | Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Abdel-Ghany, Hossam; Ng, Seik Weng
2-Amino-4-phenyl-4<i>H</i>,10<i>H</i>-1,3,5-triazino[1,2-<i>a</i>]benzimidazol-3-ium chloride
Acta Crystallographica Section E
67(5)
(2011)
o1154 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229932.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,912 | 8.0403 | 0.0006 | 15.1514 | 0.0011 | 16.4575 | 0.001 | 108.076 | 0.006 | 90.971 | 0.006 | 96.484 | 0.007 | 1,890.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | tris(methylacetylacetonate)cobalt(III) | tris(3-methyl-2,4-pentandionato)cobalt(III) | - C18 H27 Co O6 - | - C18 H27 Co O6 - | - C72 H108 Co4 O24 - | 4 | 2 | DA1026 | Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C. | Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1807 | 1809 | 10.1107/S0108270198008592 | 1.5418 | CuKα | 0.17 | 0.083 | null | 0.239 | 0.185 | null | null | null | 1.035 | 1.169 | 1.169 | null | null | null | has coordinates | Abrahams, Brendan F.; Hoskins, Bernard F.; McFadyen, David W.; Perrin, Leah C.
Tris(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III)
Acta Crystallographica Section C
54(12)
(1998)
1807-1809 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007912.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,913 | 6.6583 | 0.0005 | 9.4161 | 0.0007 | 9.5481 | 0.0007 | 96.087 | 0.002 | 103.348 | 0.002 | 90.026 | 0.001 | 578.97 | 0.07 | 190 | null | 190 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C7 H19 Cl2 Cu N3 - | - C7 H19 Cl2 Cu N3 - | - C14 H38 Cl4 Cu2 N6 - | 2 | 1 | DA1028 | McCasland, Anne K.; Alcock, Nathaniel W.; Busch, Daryle H. | [<i>N</i>-(3-Aminopropyl)-<i>N</i>-methyl-1,3-propanediamine-κ^3^<i>N</i>]dichlorocopper(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1837 | 1839 | 10.1107/S0108270198009731 | 0.71073 | MoKα | 0.0599 | 0.0448 | null | 0.0967 | 0.094 | null | null | null | 0.888 | 1.054 | 1.054 | null | null | null | has coordinates | McCasland, Anne K.; Alcock, Nathaniel W.; Busch, Daryle H.
[<i>N</i>-(3-Aminopropyl)-<i>N</i>-methyl-1,3-propanediamine-κ^3^<i>N</i>]dichlorocopper(II)
Acta Crystallographica Section C
54(12)
(1998)
1837-1839 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007913.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,914 | 7.123 | 0.001 | 10.149 | 0.001 | 10.223 | 0.002 | 103.33 | 0.01 | 109.79 | 0.02 | 92.43 | 0.02 | 670.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Piromidic acid | 8-Ethyl-5,8-dihydro-5-oxo-2-(-1-pyrrolidinyl)pyrido[2,3-d]pyrimidine-6- carboxylic acid | - C14 H16 N4 O3 - | - C14 H16 N4 O3 - | - C28 H32 N8 O6 - | 2 | 1 | DE1074 | H. Song.; H. S. Shin; K. I. Park.; S. I. Cho | The Antifungal Agent 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-<i>d</i>]pyrimidine-6-carboxylic Acid (Piromidic Acid) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1915 | 1917 | 10.1107/S0108270198007628 | 0.71069 | MoKα | 0.109 | 0.048 | null | 0.144 | 0.109 | null | null | null | 1.056 | 1.116 | 1.116 | null | null | null | has coordinates | H. Song.; H. S. Shin; K. I. Park.; S. I. Cho
The Antifungal Agent 8-Ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)pyrido[2,3-<i>d</i>]pyrimidine-6-carboxylic Acid (Piromidic Acid)
Acta Crystallographica Section C
54(12)
(1998)
1915-1917 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007914.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,915 | 16.734 | 0.005 | 7.83 | 0.004 | 12.028 | 0.005 | 90 | null | 119.12 | 0.03 | 90 | null | 1,376.8 | 1.1 | 293 | null | 293 | null | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | 6-Propylcytidine | 1-(β-D-ribofuranosyl)-6-Propylcytosine | - C12 H19 N3 O5 - | - C12 H19 N3 O5 - | - C48 H76 N12 O20 - | 4 | 1 | FG1416 | Birnbaum, Karin Bjåmer; Shugar, David; Felczak, Krzysztof | 1-(β-<small>D</small>-Ribofuranosyl)-6-propylcytosine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1959 | 1961 | 10.1107/S0108270198008683 | 0.71073 | MolybdenumKα | 0.034 | 0.029 | null | 0.037 | 0.036 | null | null | null | null | 1.69 | 1.69 | null | null | null | has coordinates | Birnbaum, Karin Bjåmer; Shugar, David; Felczak, Krzysztof
1-(β-<small>D</small>-Ribofuranosyl)-6-propylcytosine
Acta Crystallographica Section C
54(12)
(1998)
1959-1961 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007915.cif $
#-------------------------------------------------------------------... | |||||||||
7,106,487 | 33.73 | 0.004 | 33.73 | 0.004 | 13.4121 | 0.0018 | 90 | null | 90 | null | 120 | null | 13,215 | 3 | 119 | 2 | 119 | 2 | null | null | null | null | 6 | R -3 :H | -R 3 | 148 | - C19 H18 F12 N6 Ni P2 - | - C19 H18 F12 N6 Ni P2 - | - C342 H324 F216 N108 Ni18 P36 - | 18 | 1 | V. Sara Thoi; Christopher J. Chang | Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water | Chem.Commun. | 2,011 | null | 6578 | 10.1039/c1cc10449g | 0.71073 | MoKα | 0.0485 | 0.0406 | null | null | 0.1052 | 0.1099 | null | null | null | null | null | 1.101 | null | null | has coordinates | V. Sara Thoi; Christopher J. Chang
Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water
Chem.Commun.
(2011)
6578 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106487.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,007,916 | 12.0267 | 0.0002 | 11.3835 | 0.0002 | 14.5357 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,990.02 | 0.06 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene | - C22 H22 O6 S2 - | - C22 H22 O6 S2 - | - C88 H88 O24 S8 - | 4 | 0.5 | FG1445 | Abboud, Khalil A.; Irvin, David J.; Reynolds, John R. | 2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1994 | 1997 | 10.1107/S0108270198009536 | 0.71073 | MoKα | 0.041 | 0.035 | null | null | null | 0.099 | null | null | null | null | null | 1.074 | null | null | has coordinates,has disorder | Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.
2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate
Acta Crystallographica Section C
54(12)
(1998)
1994-1997 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007916.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,917 | 29.3123 | 0.0001 | 29.3123 | 0.0001 | 6.8706 | 0.0001 | 90 | null | 90 | null | 120 | null | 5,112.4 | 0.08 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | 2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene tetrahydrofuran solvate | - C23.33 H24.67 O6.33 S2 - | - C22 H22 O6 S2 - | - C198 H198 O54 S18 - | 9 | 0.5 | FG1445 | Abboud, Khalil A.; Irvin, David J.; Reynolds, John R. | 2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1994 | 1997 | 10.1107/S0108270198009536 | 0.71073 | MoKα | 0.04 | 0.035 | null | null | null | 0.096 | null | null | null | null | null | 1.06 | null | null | has coordinates | Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.
2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate
Acta Crystallographica Section C
54(12)
(1998)
1994-1997 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007917.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,918 | 9.481 | 0.0009 | 19.836 | 0.0019 | 13.178 | 0.0014 | 90 | null | 90 | null | 90 | null | 2,478.3 | 0.4 | 296 | null | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 1,2-bis(2-pyridylformimidoyl)hydrazine | - C12 H12 N6 - | - C12 H12 N6 - | - C96 H96 N48 - | 8 | 1 | FG1463 | Armstrong, Jennifer A.; Barnes, John C.; Weakley, Timothy J.R. | 1,2-Bis(2-pyridylformimidoyl)hydrazine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1923 | 1925 | 10.1107/S0108270198008014 | 0.71073 | MoKα | 0.068 | 0.036 | null | null | null | 0.135 | null | null | null | null | null | 0.951 | null | null | has coordinates | Armstrong, Jennifer A.; Barnes, John C.; Weakley, Timothy J.R.
1,2-Bis(2-pyridylformimidoyl)hydrazine
Acta Crystallographica Section C
54(12)
(1998)
1923-1925 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007918.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,919 | 7.436 | 0.002 | 8.438 | 0.002 | 19.607 | 0.003 | 90 | null | 90 | null | 90 | null | 1,230.2 | 0.5 | 287 | 2 | 287 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methyl-4-methylamino- (1H)-pyrimidin-2-one | - C11 H17 N3 O4 - | - C11 H17 N3 O4 - | - C44 H68 N12 O16 - | 4 | 1 | FG1466 | Audette, Gerald F.; Kumar, Sashi V.P.; Gupta, Sagar V.; Quail, J. Wilson | <i>N</i>^4^,5-Dimethyl-2'-deoxycytidine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1987 | 1990 | 10.1107/S0108270198008026 | 0.7093 | MolybdenumKα | 0.0565 | 0.0364 | null | null | null | 0.1064 | null | null | null | null | null | 1.058 | null | null | has coordinates | Audette, Gerald F.; Kumar, Sashi V.P.; Gupta, Sagar V.; Quail, J. Wilson
<i>N</i>^4^,5-Dimethyl-2'-deoxycytidine
Acta Crystallographica Section C
54(12)
(1998)
1987-1990 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007919.cif $
#-------------------------------------------------------------------... | ||||||||||
7,106,486 | 7.404 | 0.0017 | 31.424 | 0.007 | 16.616 | 0.004 | 90 | null | 98.615 | 0.004 | 90 | null | 3,822.3 | 1.5 | 140 | 2 | 140 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H28 F6 N12 Ni2 O6 S2 - | - C36 H28 F6 N12 Ni2 O6 S2 - | - C144 H112 F24 N48 Ni8 O24 S8 - | 4 | 1 | V. Sara Thoi; Christopher J. Chang | Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water | Chem.Commun. | 2,011 | null | 6578 | 10.1039/c1cc10449g | 0.71073 | MoKα | 0.0939 | 0.0518 | null | null | 0.1058 | 0.1254 | null | null | null | null | null | 1.011 | null | null | has coordinates | V. Sara Thoi; Christopher J. Chang
Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water
Chem.Commun.
(2011)
6578 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106486.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,007,920 | 7.5811 | 0.0006 | 11.6974 | 0.0008 | 8.78 | 0.0006 | 90 | null | 97.129 | 0.007 | 90 | null | 772.58 | 0.1 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 1,4-Dioxane dichloro-germanium | - C4 H8 Cl2 Ge O2 - | - C4 H8 Cl2 Ge O2 - | - C16 H32 Cl8 Ge4 O8 - | 4 | 0.5 | FG1469 | Denk, Michael K.; Khan, Maryam; Lough, Alan J.; Shuchi, Kumra | Redetermination of the Germanium Dichloride Complex with 1,4-Dioxane at 173K | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1830 | 1832 | 10.1107/S0108270198009548 | 0.71073 | MoKα | 0.0238 | 0.0216 | null | 0.0533 | 0.0527 | null | null | null | 1.075 | 1.1 | 1.1 | null | null | null | has coordinates,has Fobs | Denk, Michael K.; Khan, Maryam; Lough, Alan J.; Shuchi, Kumra
Redetermination of the Germanium Dichloride Complex with 1,4-Dioxane at 173K
Acta Crystallographica Section C
54(12)
(1998)
1830-1832 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007920.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,921 | 10.258 | 0.002 | 6.9198 | 0.0009 | 17.66 | 0.004 | 90 | null | 90.65 | 0.02 | 90 | null | 1,253.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Catena-[bis(3-hydroxypropionato)diaquoyttrium(III)] Bromide | - C6 H14 Br O8 Y - | - C6 H14 Br O8 Y - | - C24 H56 Br4 O32 Y4 - | 4 | 1 | FG1475 | Mague, Joel T.; Apblett, Allen W.; Todorova, Galina | Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1784 | 1787 | 10.1107/S010827019800955X | 0.71073 | MoKα | 0.0821 | 0.0499 | null | 0.1513 | null | 0.1356 | null | null | 1.052 | null | null | 1.086 | null | null | has coordinates | Mague, Joel T.; Apblett, Allen W.; Todorova, Galina
Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride
Acta Crystallographica Section C
54(12)
(1998)
1784-1787 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007921.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,922 | 7.564 | 0.002 | 11.619 | 0.002 | 14.361 | 0.003 | 90 | null | 90 | null | 90 | null | 1,262.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | Catena-[(3-hydroxypropionato)pentaaquoyttrium(III)] Bromide Chloride | - C3 H15 Br Cl O8 Y - | - C3 H13 Br Cl O8 Y - | - C12 H52 Br4 Cl4 O32 Y4 - | 4 | 1 | FG1475 | Mague, Joel T.; Apblett, Allen W.; Todorova, Galina | Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1784 | 1787 | 10.1107/S010827019800955X | 0.71073 | MoKα | 0.0496 | 0.0313 | null | 0.096 | null | 0.0896 | null | null | 1.089 | null | null | 1.118 | null | null | has coordinates | Mague, Joel T.; Apblett, Allen W.; Todorova, Galina
Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride
Acta Crystallographica Section C
54(12)
(1998)
1784-1787 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007922.cif $
#-------------------------------------------------------------------... | ||||||||||
7,106,485 | 10.655 | 0.0015 | 21.779 | 0.003 | 21.88 | 0.003 | 90 | null | 99.063 | 0.002 | 90 | null | 5,014 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C42 H48 F12 N12 Ni2 O4 P2 - | - C44 H52 F12 N12 Ni2 O4 P2 - | - C176 H208 F48 N48 Ni8 O16 P8 - | 4 | 1 | V. Sara Thoi; Christopher J. Chang | Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water | Chem.Commun. | 2,011 | null | 6578 | 10.1039/c1cc10449g | 0.71073 | MoKα | 0.0836 | 0.0405 | null | null | 0.0825 | 0.1002 | null | null | null | null | null | 1.006 | null | null | has coordinates | V. Sara Thoi; Christopher J. Chang
Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water
Chem.Commun.
(2011)
6578 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106485.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,007,923 | 7.3756 | 0.0001 | 21.9934 | 0.0002 | 9.6991 | 0.0001 | 90 | null | 108.843 | 0.001 | 90 | null | 1,489.02 | 0.03 | 218 | 2 | 218 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H17 Cr N O3 - | - C16 H17 Cr N O3 - | - C64 H68 Cr4 N4 O12 - | 4 | 1 | FG1479 | Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue | <i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1825 | 1827 | 10.1107/S0108270198009561 | 0.71073 | MoKα | 0.04 | 0.032 | null | 0.082 | 0.078 | null | null | null | 1.081 | 1.121 | 1.121 | null | null | null | has coordinates | Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue
<i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)
Acta Crystallographica Section C
54(12)
(1998)
1825-1827 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007923.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,924 | 9.5188 | 0.0001 | 10.3406 | 0.0001 | 14.6223 | 0.0002 | 90 | null | 91.379 | 0.001 | 90 | null | 1,438.86 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H17 Cr N O3 - | - C16 H17 Cr N O3 - | - C64 H68 Cr4 N4 O12 - | 4 | 1 | FG1479 | Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue | <i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1825 | 1827 | 10.1107/S0108270198009561 | 0.71073 | MoKα | 0.039 | 0.032 | null | 0.088 | 0.082 | null | null | null | 1.03 | 1.045 | 1.045 | null | null | null | has coordinates | Pigge, F. Christopher; Rath, Nigam P.; Fang, Shiyue
<i>exo</i>-and <i>endo</i>-Tricarbonyl[(4b,5,6,7,8,8a-η)-<i>cis</i>-<i>N</i>-methyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-carbazole]chromium(0)
Acta Crystallographica Section C
54(12)
(1998)
1825-1827 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007924.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,925 | 13.4327 | 0.0002 | 13.1953 | 0.0006 | 16.7801 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,974.25 | 0.18 | 208 | 2 | 208 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C10 H19 Co N4 O4 - | - C10 H19 Co N4 O4 - | - C80 H152 Co8 N32 O32 - | 8 | 1 | FG1480 | Mareque Rivas, Juan C.; Brammer, Lee | N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1799 | 1802 | 10.1107/S0108270198008956 | 0.71073 | MoKα | 0.072 | 0.042 | null | 0.055 | 0.05 | null | null | null | 1.44 | 1.576 | 1.576 | null | null | null | has coordinates | Mareque Rivas, Juan C.; Brammer, Lee
N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-)
Acta Crystallographica Section C
54(12)
(1998)
1799-1802 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007925.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,926 | 7.9543 | 0.0005 | 8.962 | 0.001 | 9.4344 | 0.0009 | 90.36 | 0.009 | 105.946 | 0.006 | 95.091 | 0.007 | 643.78 | 0.1 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C7 H13 Br3 O Te - | - C7 H13 Br3 O Te - | - C14 H26 Br6 O2 Te2 - | 2 | 1 | FG1481 | Zukerman-Schpector, J.; Stefani, Hélio A.; Silva, Diogo de O.; Braga, Antonio L.; Dornelles, Luciano; Silveira, Claudio da C.; Caracelli, I. | Dibromo[(<i>Z</i>)-2-bromo-2-(hydroxymethyl)vinyl](<i>n</i>-butyl)tellurium(IV) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 2007 | 2009 | 10.1107/S0108270198009573 | 0.71073 | MoKα | 0.0637 | 0.0325 | null | 0.089 | null | 0.0783 | null | null | 1.051 | null | null | 1.085 | null | null | has coordinates | Zukerman-Schpector, J.; Stefani, Hélio A.; Silva, Diogo de O.; Braga, Antonio L.; Dornelles, Luciano; Silveira, Claudio da C.; Caracelli, I.
Dibromo[(<i>Z</i>)-2-bromo-2-(hydroxymethyl)vinyl](<i>n</i>-butyl)tellurium(IV)
Acta Crystallographica Section C
54(12)
(1998)
2007-2009 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007926.cif $
#-------------------------------------------------------------------... | |||||||||||
7,106,484 | 10.079 | 0.0007 | 19.0802 | 0.0015 | 12.1281 | 0.0009 | 90 | null | 100.406 | 0.001 | 90 | null | 2,294 | 0.3 | 119 | 2 | 119 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C18 H16 F12 N6 Ni P2 - | - C18 H16 F12 N6 Ni P2 - | - C72 H64 F48 N24 Ni4 P8 - | 4 | 0.5 | V. Sara Thoi; Christopher J. Chang | Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water | Chem.Commun. | 2,011 | null | 6578 | 10.1039/c1cc10449g | 0.71073 | MoKα | 0.022 | 0.0217 | null | null | 0.057 | 0.0572 | null | null | null | null | null | 1.1 | null | null | has coordinates | V. Sara Thoi; Christopher J. Chang
Nickel N-Heterocyclic Carbene-Pyridine Complexes that Exhibit High Selectivity for Electrocatalytic Reduction of Carbon Dioxide Over Water
Chem.Commun.
(2011)
6578 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106484.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,007,927 | 8.7367 | 0.0005 | 10.2118 | 0.0005 | 8.3386 | 0.0008 | 111.508 | 0.006 | 95.216 | 0.006 | 87.374 | 0.004 | 689.22 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2-(1-phenyl-1,3-butadien-2-yl)benzoic acid | - C17 H14 O2 - | - C17 H14 O2 - | - C34 H28 O4 - | 2 | 1 | FG1488 | Mague, Joel T.; Hua, Xiao-Gang; Li, Chao-Jun | An Unexpected Product of an Indium-Mediated Carbon‒Carbon Coupling: 2-(1-Phenyl-1,3-butadien-2-yl)benzoic Acid | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1934 | 1936 | 10.1107/S0108270198010117 | 0.71073 | MoKα | 0.073 | 0.038 | null | 0.113 | null | 0.098 | null | null | 1.03 | null | null | 1.098 | null | null | has coordinates | Mague, Joel T.; Hua, Xiao-Gang; Li, Chao-Jun
An Unexpected Product of an Indium-Mediated Carbon‒Carbon Coupling: 2-(1-Phenyl-1,3-butadien-2-yl)benzoic Acid
Acta Crystallographica Section C
54(12)
(1998)
1934-1936 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007927.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,928 | 9.1055 | 0.0008 | 13.124 | 0.002 | 13.796 | 0.003 | 90 | null | 92.429 | 0.011 | 90 | null | 1,647.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C14 H10 S8 - | - C14 H10 S8 - | - C56 H40 S32 - | 4 | 1 | FG1493 | Mézière, Cécile; Sallé, Marc; Fourmigué, Marc | 2'-(1,3-Dithiolan-2-ylidene)-4'-(1,3-dithiol-2-ylidene)spiro[1,3-dithiole-2,5'-(4'<i>H</i>-5',6'-dihydro-1',3'-dithiapentalene)], the Self-Condensation Product of an Extended Tetrathiafulvalene Derivative | Acta Crystallographica Section C | 1,998 | 54 | 12 | 2005 | 2007 | 10.1107/S0108270198009809 | 0.71073 | MoKα | 0.14 | 0.04 | null | 0.108 | null | 0.086 | null | null | 1.013 | null | null | 1.116 | null | null | has coordinates | Mézière, Cécile; Sallé, Marc; Fourmigué, Marc
2'-(1,3-Dithiolan-2-ylidene)-4'-(1,3-dithiol-2-ylidene)spiro[1,3-dithiole-2,5'-(4'<i>H</i>-5',6'-dihydro-1',3'-dithiapentalene)], the Self-Condensation Product of an Extended Tetrathiafulvalene Derivative
Acta Crystallographica Section C
54(12)
(1998)
2005-2007 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007928.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,929 | 7.617 | 0.003 | 15.433 | 0.006 | 13.652 | 0.005 | 90 | null | 90.112 | 0.01 | 90 | null | 1,604.8 | 1.1 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 5,5'-bis(acetylamino)-2,2'-dihydroxybiphenyl monohydrate | - C16 H18 N2 O5 - | - C16 H18 N2 O5 - | - C64 H72 N8 O20 - | 4 | 0.5 | FG1496 | Clegg, William; Teat, Simon J.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Shepherd, Evelyn A.; Sherwood, John N.; Vrcelj, Ranko M.; Shepherd, Evelyn A. | An Oxidatively Coupled Dimer of Paracetamol | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1881 | 1882 | 10.1107/S0108270198009445 | 0.6874 | synchrotron | 0.078 | 0.062 | null | null | null | 0.158 | null | null | null | null | null | 0.933 | null | null | has coordinates,has Fobs | Clegg, William; Teat, Simon J.; Prasad, Korlakunte V. R.; Ristic, Radoljub I.; Sheen, David B.; Shepherd, Evelyn A.; Sherwood, John N.; Vrcelj, Ranko M.; Shepherd, Evelyn A.
An Oxidatively Coupled Dimer of Paracetamol
Acta Crystallographica Section C
54(12)
(1998)
1881-1882 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007929.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,931 | 14.653 | 0.0006 | 9.4482 | 0.0004 | 15.2461 | 0.0007 | 90 | null | 97.055 | 0.003 | 90 | null | 2,094.76 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl acetate | - C23 H19 N O4 S2 - | - C23 H19 N O4 S2 - | - C92 H76 N4 O16 S8 - | 4 | 1 | BT5514 | Rammohan, Alagappa; Govindan, E.; SubbiahPandi, A.; Sureshbabu, R.; Mohana Krishnan, A. K. | (3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl acetate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1240 | o1241 | 10.1107/S1600536811014802 | 0.71073 | MoKα | 0.0653 | 0.0385 | null | null | 0.0903 | 0.1036 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Rammohan, Alagappa; Govindan, E.; SubbiahPandi, A.; Sureshbabu, R.; Mohana Krishnan, A. K.
(3-Phenylsulfanyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl acetate
Acta Crystallographica Section E
67(5)
(2011)
o1240-o1241 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229931.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,930 | 7.5204 | 0.001 | 17.061 | 0.002 | 12.2921 | 0.0017 | 90 | null | 92.187 | 0.004 | 90 | null | 1,576 | 0.4 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | 2-methylpyridinium bis(pyrocatecholato-O,O')borate | - C18 H16 B N O4 - | - C18 H16 B N O4 - | - C72 H64 B4 N4 O16 - | 4 | 1 | FG1497 | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul | Salts of the Bis(catecholato)borate Anion with Organic Cations | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1875 | 1880 | 10.1107/S0108270198009810 | 0.71073 | MoKα | 0.05 | 0.044 | null | null | null | 0.111 | null | null | null | null | null | 1.088 | null | null | has coordinates | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul
Salts of the Bis(catecholato)borate Anion with Organic Cations
Acta Crystallographica Section C
54(12)
(1998)
1875-1880 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007930.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,931 | 11.6469 | 0.0014 | 10.9779 | 0.0014 | 13.5215 | 0.0017 | 90 | null | 112.482 | 0.003 | 90 | null | 1,597.4 | 0.3 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-methylpyridinium bis(pyrocatecholato-O,O')borate | - C18 H16 B N O4 - | - C18 H16 B N O4 - | - C72 H64 B4 N4 O16 - | 4 | 1 | FG1497 | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul | Salts of the Bis(catecholato)borate Anion with Organic Cations | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1875 | 1880 | 10.1107/S0108270198009810 | 0.71073 | MoKα | 0.07 | 0.043 | null | null | null | 0.109 | null | null | null | null | null | 1.027 | null | null | has coordinates | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul
Salts of the Bis(catecholato)borate Anion with Organic Cations
Acta Crystallographica Section C
54(12)
(1998)
1875-1880 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007931.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,932 | 9.944 | 0.003 | 11.116 | 0.003 | 14.491 | 0.004 | 90 | null | 94.9 | 0.015 | 90 | null | 1,595.9 | 0.8 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-methylpyridinium bis(pyrocatecholato-O,O')borate | - C18 H16 B N O4 - | - C18 H16 B N O4 - | - C72 H64 B4 N4 O16 - | 4 | 1 | FG1497 | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul | Salts of the Bis(catecholato)borate Anion with Organic Cations | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1875 | 1880 | 10.1107/S0108270198009810 | 0.71073 | MoKα | 0.067 | 0.042 | null | null | null | 0.103 | null | null | null | null | null | 1.051 | null | null | has coordinates | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul
Salts of the Bis(catecholato)borate Anion with Organic Cations
Acta Crystallographica Section C
54(12)
(1998)
1875-1880 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007932.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,930 | 8.5823 | 0.0006 | 9.4069 | 0.0006 | 9.8562 | 0.0007 | 81.935 | 0.005 | 71.435 | 0.006 | 80.508 | 0.006 | 740.7 | 0.09 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)mercury(II) | - C12 H8 Br2 Hg N4 - | - C12 H8 Br2 Hg N4 - | - C24 H16 Br4 Hg2 N8 - | 2 | 1 | BT5511 | Ghiasi, Reza | Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)mercury(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m595 | 10.1107/S1600536811013274 | 0.71073 | MoKα | 0.0332 | 0.0304 | null | null | null | 0.0842 | null | null | null | null | null | 1.176 | null | null | has coordinates,has Fobs | Ghiasi, Reza
Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)mercury(II)
Acta Crystallographica Section E
67(5)
(2011)
m595 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229930.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,933 | 16.12 | 0.002 | 15.959 | 0.002 | 14.9294 | 0.0019 | 90 | null | 90 | null | 90 | null | 3,840.7 | 0.8 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | 1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate | - C24 H17 B N2 O4 - | - C24 H17 B N2 O4 - | - C192 H136 B8 N16 O32 - | 8 | 1 | FG1497 | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul | Salts of the Bis(catecholato)borate Anion with Organic Cations | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1875 | 1880 | 10.1107/S0108270198009810 | 0.71073 | MoKα | 0.095 | 0.055 | null | null | null | 0.177 | null | null | null | null | null | 1.025 | null | null | has coordinates | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul
Salts of the Bis(catecholato)borate Anion with Organic Cations
Acta Crystallographica Section C
54(12)
(1998)
1875-1880 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007933.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,934 | 10.3594 | 0.0011 | 11.0153 | 0.0011 | 12.0742 | 0.0013 | 96.361 | 0.002 | 107.932 | 0.002 | 115.848 | 0.002 | 1,130.4 | 0.2 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 1,10-phenanthrolinium bis(pyrocatecholato-O,O')borate dichloromethane solvate | - C25 H19 B Cl2 N2 O4 - | - C25 H19 B Cl2 N2 O4 - | - C50 H38 B2 Cl4 N4 O8 - | 2 | 1 | FG1497 | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul | Salts of the Bis(catecholato)borate Anion with Organic Cations | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1875 | 1880 | 10.1107/S0108270198009810 | 0.71073 | MoKα | 0.06 | 0.043 | null | null | null | 0.1 | null | null | null | null | null | 1.095 | null | null | has coordinates | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul
Salts of the Bis(catecholato)borate Anion with Organic Cations
Acta Crystallographica Section C
54(12)
(1998)
1875-1880 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007934.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,935 | 22.417 | 0.003 | 8.439 | 0.0009 | 17.4208 | 0.0019 | 90 | null | 110.477 | 0.003 | 90 | null | 3,087.4 | 0.6 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | trimethylphosphonium bis(pyrocatecholato-O,O')borate | - C15 H18 B O4 P - | - C15 H18 B O4 P - | - C120 H144 B8 O32 P8 - | 8 | 2 | FG1497 | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul | Salts of the Bis(catecholato)borate Anion with Organic Cations | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1875 | 1880 | 10.1107/S0108270198009810 | 0.71073 | MoKα | 0.085 | 0.049 | null | null | null | 0.115 | null | null | null | null | null | 1.033 | null | null | has coordinates | Clegg, William; Scott, Andrew J.; Lawlor, Fiona J.; Norman, Nicholas C.; Marder, Todd B.; Dai, Chaoyang; Nguyen, Paul
Salts of the Bis(catecholato)borate Anion with Organic Cations
Acta Crystallographica Section C
54(12)
(1998)
1875-1880 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007935.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,929 | 9.462 | 0.002 | 11.014 | 0.003 | 7.74 | 0.002 | 90 | null | 115.65 | 0.02 | 90 | null | 727.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | Poly[di-μ-aqua-diaqua-di-μ~6~-malonato-cobalt(II)dipotassium] | - C6 H12 Co K2 O12 - | - C6 H12 Co K2 O12 - | - C12 H24 Co2 K4 O24 - | 2 | 0.25 | BT5510 | Sy, Adama; Barry, Aliou Hamady; Gaye, Mohamed; Sall, Abdou Salam; Driss, Ahmed | Poly[di-μ-aqua-diaqua-di-μ~6~-malonato-cobalt(II)dipotassium(I)] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m601 | 10.1107/S1600536811012839 | 0.71073 | MoKα | 0.0225 | 0.0216 | null | null | 0.0563 | 0.0567 | null | null | null | null | null | 1.147 | null | null | has coordinates,has Fobs | Sy, Adama; Barry, Aliou Hamady; Gaye, Mohamed; Sall, Abdou Salam; Driss, Ahmed
Poly[di-μ-aqua-diaqua-di-μ~6~-malonato-cobalt(II)dipotassium(I)]
Acta Crystallographica Section E
67(5)
(2011)
m601 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229929.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,936 | 7.6299 | 0.0008 | 7.5234 | 0.0009 | 13.6917 | 0.0008 | 90 | null | 93.28 | 0.007 | 90 | null | 784.65 | 0.13 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | quinoline-4-carboxylic acid | - C10 H7 N O2 - | - C10 H7 N O2 - | - C40 H28 N4 O8 - | 4 | 1 | FG1498 | Dobson, Allison J.; Gerkin, Roger E. | Quinoline-4-carboxylic Acid | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1883 | 1885 | 10.1107/S0108270198009585 | 0.71073 | MoKα | null | 0.036 | null | null | 0.085 | null | null | null | null | 1.86 | 1.86 | null | null | null | has coordinates | Dobson, Allison J.; Gerkin, Roger E.
Quinoline-4-carboxylic Acid
Acta Crystallographica Section C
54(12)
(1998)
1883-1885 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007936.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,937 | 11.67 | 0.003 | 9.78 | 0.002 | 17.777 | 0.005 | 90 | null | 90.37 | 0.02 | 90 | null | 2,028.9 | 0.9 | 170 | 1 | 170 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Tripelennamine tetrachlorocobaltate(II) | N-Benzyl-N',N'-dimethyl-N-(2-pyridinio)-1,2-ethanediammonium tetrachlorocobaltate(II) | - C16 H23 Cl4 Co N3 - | - C16 H23 Cl4 Co N3 - | - C64 H92 Cl16 Co4 N12 - | 4 | 1 | FG1505 | Parvez, Masood | Tripelennamine Tetrachlorocobaltate(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1748 | 1750 | 10.1107/S0108270198009457 | 0.71069 | MoKα | 0.177 | 0.047 | null | null | null | 0.161 | null | null | null | null | null | 0.98 | null | null | has coordinates | Parvez, Masood
Tripelennamine Tetrachlorocobaltate(II)
Acta Crystallographica Section C
54(12)
(1998)
1748-1750 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007937.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,938 | 6.978 | 0.0001 | 17.156 | 0.003 | 13.996 | 0.003 | 90 | null | 90 | null | 90 | null | 1,675.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | (Maleate)(aqua)(4,4'dimethyl-2,2'-bipyridine) copper(II) dihydrate | - C15 H20 Cu N2 O7 - | - C15 H20 Cu N2 O7 - | - C60 H80 Cu4 N8 O28 - | 4 | 0.5 | FR1117 | Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo | Aqua(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Dihydrate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1848 | 1850 | 10.1107/S0108270198008178 | 0.71073 | MoKα | 0.13 | 0.041 | null | null | 0.102 | 0.115 | null | null | null | null | null | 0.956 | null | null | has coordinates | Gasque, Laura; Moreno-Esparza, Rafael; Mollins, Elies; Briansó-Penalva, José Luis; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo
Aqua(4,4'-dimethyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')(malonato-<i>O</i>,<i>O</i>')copper(II) Dihydrate
Acta Crystallographica Section C
54(12)
(1998)
1848-1850 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007938.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,939 | 12.6472 | 0.0007 | 11.3613 | 0.0006 | 13.6908 | 0.0007 | 90 | null | 110.363 | 0.001 | 90 | null | 1,844.28 | 0.17 | 296 | 1 | 296 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - Ce2 H40 N8 O36 S8 - | - Ce2 H40 N8 O36 S8 - | - Ce4 H80 N16 O72 S16 - | 2 | 0.5 | FR1130 | Yongkui Shan; Songping D. Huang | (NH~4~)~8~[Ce~2~(SO~4~)~8~] .4H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1744 | 1745 | 10.1107/S0108270198007057 | 0.7107 | MoKα | 0.027 | 0.022 | null | 0.035 | null | 0.034 | null | null | 0.942 | null | null | 0.973 | null | null | has coordinates | Yongkui Shan; Songping D. Huang
(NH~4~)~8~[Ce~2~(SO~4~)~8~] .4H~2~O
Acta Crystallographica Section C
54(12)
(1998)
1744-1745 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007939.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,940 | 10.2266 | 0.0009 | 10.7507 | 0.0011 | 11.0355 | 0.0008 | 64.4 | 0.007 | 70.297 | 0.007 | 78.614 | 0.008 | 1,028.2 | 0.17 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C42 H46 Cd Cu2 N4 O10 - | - C42 H46 Cd Cu2 N4 O10 - | - C42 H46 Cd Cu2 N4 O10 - | 1 | 0.5 | FR1131 | Ercan, Filiz; Ülkü, Dinçer; Atakol, Orhan; Dinçer, F. Nazlι | Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}cadmium(II) Dioxane Solvate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1787 | 1790 | 10.1107/S010827019800835X | 0.71073 | MoKα | null | 0.033 | null | null | 0.042 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Ercan, Filiz; Ülkü, Dinçer; Atakol, Orhan; Dinçer, F. Nazlι
Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]copper(II)}cadmium(II) Dioxane Solvate
Acta Crystallographica Section C
54(12)
(1998)
1787-1790 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007940.cif $
#-------------------------------------------------------------------... | |||||||||||
2,229,928 | 15.1521 | 0.001 | 5.6783 | 0.0004 | 17.4855 | 0.0013 | 90 | null | 94.981 | 0.006 | 90 | null | 1,498.74 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc | - C10 H8 N6 Se2 Zn - | - C10 H8 N6 Se2 Zn - | - C40 H32 N24 Se8 Zn4 - | 4 | 0.5 | BT5509 | Reinert, Thorben; Boeckmann, Jan; Näther, Christian | Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc | Acta Crystallographica Section E | 2,011 | 67 | 5 | m567 | 10.1107/S1600536811012621 | 0.71073 | MoKα | 0.0638 | 0.0458 | null | null | 0.0903 | 0.0972 | null | null | null | null | null | 1.131 | null | null | has coordinates,has Fobs | Reinert, Thorben; Boeckmann, Jan; Näther, Christian
Bis(pyridazine-κ<i>N</i>)bis(selenocyanato-κ<i>N</i>)zinc
Acta Crystallographica Section E
67(5)
(2011)
m567 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229928.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,941 | 9.069 | 0.002 | 17.009 | 0.003 | 15.104 | 0.002 | 90 | null | 99.47 | 0.02 | 90 | null | 2,298.1 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 2,3-diethoxy-1-(1,10-phenanthroline-N,N')-1-ruthena-closo-undecaborane | - C16 H26 B10 N2 O2 Ru - | - C16 H26 B10 N2 O2 Ru - | - C64 H104 B40 N8 O8 Ru4 - | 4 | 1 | FR1135 | Yong Nie; Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jie Sun; Ruo-Shui Jin; Pei-Ju Zheng | A 1,10-Phenanthroline-Ligated <i>closo</i>-Ruthenaundecaborane: [(C~12~H~8~N~2~)RuB~10~H~8~(OC~2~H~5~)~2~] | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1813 | 1815 | 10.1107/S0108270198007938 | 0.71069 | MoKα | null | 0.029 | null | null | null | 0.086 | null | null | null | null | null | 1.009 | null | null | has coordinates | Yong Nie; Chun-Hua Hu; Jian-Min Dou; Hai-Jun Yao; Jie Sun; Ruo-Shui Jin; Pei-Ju Zheng
A 1,10-Phenanthroline-Ligated <i>closo</i>-Ruthenaundecaborane: [(C~12~H~8~N~2~)RuB~10~H~8~(OC~2~H~5~)~2~]
Acta Crystallographica Section C
54(12)
(1998)
1813-1815 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007941.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,942 | 8.4414 | 0.0005 | 7.7207 | 0.0005 | 19.412 | 0.0018 | 90 | null | 90.342 | 0.006 | 90 | null | 1,265.13 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C8 H10 I2 N4 Pt - | - C8 H10 I2 N4 Pt - | - C32 H40 I8 N16 Pt4 - | 4 | 1 | FR1137 | Casas, Jose S.; Castiñeiras, Alfonso; Parajó, Yolanda; Sordo, José; Varela, José M. | (1,1'-Dimethyl-2,2'-biimidazole-<i>N</i>^3^,<i>N</i>^3'^)diiodoplatinum(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1777 | 1779 | 10.1107/S0108270198009950 | 0.71073 | MoKα | 0.06 | 0.027 | null | null | null | 0.062 | null | null | null | null | null | 1.046 | null | null | has coordinates | Casas, Jose S.; Castiñeiras, Alfonso; Parajó, Yolanda; Sordo, José; Varela, José M.
(1,1'-Dimethyl-2,2'-biimidazole-<i>N</i>^3^,<i>N</i>^3'^)diiodoplatinum(II)
Acta Crystallographica Section C
54(12)
(1998)
1777-1779 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007942.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,943 | 9.299 | 0.0014 | 18.698 | 0.001 | 9.0381 | 0.0016 | 90 | null | 91.75 | 0.03 | 90 | null | 1,570.7 | 0.4 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | theobromine | 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | - C7 H8 N4 O2 - | - C7 H8 N4 O2 - | - C56 H64 N32 O16 - | 8 | 2 | FR1140 | Ford, Kimberly A.; Ebisuzaki, Yukiko; Boyle, Paul D. | Methylxanthines. II. Anhydrous Theobromine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1980 | 1983 | 10.1107/S0108270198009469 | 0.71073 | MolybdenumKα | null | 0.067 | null | 0.074 | 0.074 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Ford, Kimberly A.; Ebisuzaki, Yukiko; Boyle, Paul D.
Methylxanthines. II. Anhydrous Theobromine
Acta Crystallographica Section C
54(12)
(1998)
1980-1983 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007943.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,944 | 18.955 | 0.002 | 12.143 | 0.001 | 18.773 | 0.002 | 90 | null | 103.739 | 0.006 | 90 | null | 4,197.4 | 0.7 | 296 | null | 296 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 4,4'-dimethylbiphenyl-2,2'-dicarboxylic acid | - C16 H14 O4 - | - C16 H14 O4 - | - C192 H168 O48 - | 12 | 1.5 | FR1147 | Gerkin, Roger E. | Hydrogen-Bonded Trimers in 4,4'-Dimethylbiphenyl-2,2'-dicarboxylic Acid | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1887 | 1889 | 10.1107/S0108270198009597 | 0.71073 | MoKα | null | 0.057 | null | null | 0.094 | null | null | null | null | 1.79 | 1.79 | null | null | null | has coordinates | Gerkin, Roger E.
Hydrogen-Bonded Trimers in 4,4'-Dimethylbiphenyl-2,2'-dicarboxylic Acid
Acta Crystallographica Section C
54(12)
(1998)
1887-1889 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007944.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,945 | 10.041 | 0.003 | 12.127 | 0.003 | 7.039 | 0.002 | 92.08 | 0.02 | 90.67 | 0.03 | 97.72 | 0.02 | 848.7 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Pentasodium dibismuth arsenate bis(diarsenate) | - As5 Bi2 Na5 O18 - | - As5 Bi2 Na5 O18 - | - As10 Bi4 Na10 O36 - | 2 | 1 | GS1000 | Boughzala, Habib; Jouini, Tahar | Na~5~Bi~2~(AsO~4~)(As~2~O~7~)~2~ | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1731 | 1733 | 10.1107/S010827019800674X | 0.71069 | MoKα | 0.0491 | 0.0285 | null | 0.0837 | 0.0645 | null | null | null | 1.145 | 1.013 | 1.013 | null | null | null | has coordinates | Boughzala, Habib; Jouini, Tahar
Na~5~Bi~2~(AsO~4~)(As~2~O~7~)~2~
Acta Crystallographica Section C
54(12)
(1998)
1731-1733 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007945.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,946 | 14.07 | 0.002 | 11.328 | 0.002 | 26.375 | 0.003 | 90 | null | 101.458 | 0.009 | 90 | null | 4,120 | 1.1 | 173 | null | 173 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | vanadyl mésopentafluorophenylporphyrine | [(5,10,15,20-tetrapentafluorophenylporphyrinato)-oxo-vanadium(IV)] dichloromethane solvate | - C45 H10 Cl2 F20 N4 O V - | - C45 H10 Cl2 F20 N4 O V - | - C180 H40 Cl8 F80 N16 O4 V4 - | 4 | 1 | GS1004 | Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond | Vanadyl Tetrakis(pentafluorophenyl)porphyrin Dichloromethane Solvate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1781 | 1784 | 10.1107/S0108270198008038 | 0.71073 | MoKα | 0.084 | 0.046 | null | 0.105 | null | 0.072 | null | null | 2.108 | null | null | 1.479 | null | null | has coordinates | Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond
Vanadyl Tetrakis(pentafluorophenyl)porphyrin Dichloromethane Solvate
Acta Crystallographica Section C
54(12)
(1998)
1781-1784 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007946.cif $
#-------------------------------------------------------------------... | |||||||||
2,229,927 | 11.335 | 0.002 | 5.4467 | 0.0011 | 26.508 | 0.005 | 90 | null | 101.4 | 0.03 | 90 | null | 1,604.3 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | (3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide | - C7 H11 N O3 - | - C7 H11 N O3 - | - C56 H88 N8 O24 - | 8 | 2 | BT5507 | Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David | (3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1116 | o1117 | 10.1107/S1600536811013055 | 1.54178 | CuKα | 0.035 | 0.0333 | null | null | 0.0876 | 0.0911 | null | null | null | null | null | 1.046 | null | null | has coordinates,has Fobs | Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David
(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide
Acta Crystallographica Section E
67(5)
(2011)
o1116-o1117 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229927.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,947 | 9.444 | 0.001 | 10.676 | 0.001 | 11.408 | 0.001 | 82.44 | 0.001 | 85.41 | 0.001 | 67.95 | 0.001 | 1,056.22 | 0.18 | 298 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C24 H14 N10 - | - C24 H14 N10 - | - C48 H28 N20 - | 2 | 1 | GS1005 | Mernari, B.; El Azhar, M.; El Attari, H.; Lagrenée, M.; Pierrot, M. | Complexe de Tétracyanoquinodiméthane et 4-Amino-3,5-bis(2-pyridyle)-1,2,4-triazole (TCNQ:abpt) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1983 | 1986 | 10.1107/S0108270198008427 | 0.71073 | MoKα | null | 0.057 | null | null | 0.068 | null | null | null | null | 1.211 | 1.211 | null | null | null | has coordinates | Mernari, B.; El Azhar, M.; El Attari, H.; Lagrenée, M.; Pierrot, M.
Complexe de Tétracyanoquinodiméthane et 4-Amino-3,5-bis(2-pyridyle)-1,2,4-triazole (TCNQ:abpt)
Acta Crystallographica Section C
54(12)
(1998)
1983-1986 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007947.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,948 | 6.721 | 0.002 | 12.278 | 0.004 | 11.096 | 0.002 | 90 | null | 93.87 | 0.02 | 90 | null | 913.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2,3-Dihydro Naphto[2,3-b]1,4-Dioxine | - C12 H10 O2 - | - C12 H9.16 O2 - | - C48 H36.64 O8 - | 4 | 1 | GS1007 | Namouchi Cherni, Saoussen; Haloui, Asma; Driss, Ahmed; Meganem, Faouzi | 2,3-Dihydronaphto[2,3-<i>b</i>][1,4]dioxine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1865 | 1867 | 10.1107/S0108270198009470 | 0.71069 | MoKα | 0.072 | 0.0399 | null | 0.1275 | 0.1076 | null | null | null | 1.052 | 1.137 | 1.137 | null | null | null | has coordinates | Namouchi Cherni, Saoussen; Haloui, Asma; Driss, Ahmed; Meganem, Faouzi
2,3-Dihydronaphto[2,3-<i>b</i>][1,4]dioxine
Acta Crystallographica Section C
54(12)
(1998)
1865-1867 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007948.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,949 | 7.449 | 0.003 | 10.724 | 0.004 | 17.733 | 0.01 | 90 | null | 90 | null | 90 | null | 1,416.6 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 4,7,7,12-Tetramethyl-2-oxa-tricyclo[6.4.0.0 ^4,9^]dodecane-3(R),12(R)-diol | - C15 H26 O3 - | - C15 H26 O3 - | - C60 H104 O12 - | 4 | 1 | GS1013 | Chiaroni, Angèle; Riche, Claude; Lassaba, Essediya; Benharref, Ahmed | (3<i>R</i>,12<i>R</i>)-4,7,7,12-Tétraméthyl-2-oxatricyclo[6,4,0,0^4,9^]dodécane-3,12-diol. Produit de Réarrangement d'un Diépoxyde d'α-<i>cis</i>-Himachalène | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1964 | 1965 | 10.1107/S0108270198009317 | 0.7109 | MoKα | 0.0533 | 0.0403 | null | 0.1325 | 0.1112 | null | null | null | 1.09 | 1.086 | 1.086 | null | null | null | has coordinates,has Fobs | Chiaroni, Angèle; Riche, Claude; Lassaba, Essediya; Benharref, Ahmed
(3<i>R</i>,12<i>R</i>)-4,7,7,12-Tétraméthyl-2-oxatricyclo[6,4,0,0^4,9^]dodécane-3,12-diol. Produit de Réarrangement d'un Diépoxyde d'α-<i>cis</i>-Himachalène
Acta Crystallographica Section C
54(12)
(1998)
1964-1965 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007949.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,926 | 18.7011 | 0.001 | 5.8199 | 0.0003 | 23.4546 | 0.0014 | 90 | null | 105.158 | 0.002 | 90 | null | 2,463.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 5-Methylphenanthro[2,3-<i>b</i>]thiophene | - C17 H12 S - | - C17 H12 S - | - C136 H96 S8 - | 8 | 2 | BT5506 | Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K. | 5-Methylphenanthro[2,3-<i>b</i>]thiophene | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1243 | 10.1107/S1600536811014838 | 0.71073 | MoKα | 0.0916 | 0.0552 | null | null | 0.1584 | 0.1952 | null | null | null | null | null | 1.062 | null | null | has coordinates,has Fobs | Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.
5-Methylphenanthro[2,3-<i>b</i>]thiophene
Acta Crystallographica Section E
67(5)
(2011)
o1243 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229926.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,950 | 13.3229 | 0.0008 | 15.9278 | 0.0013 | 32.613 | 0.002 | 90 | null | 90 | null | 90 | null | 6,920.6 | 0.8 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C27 H47 N5 O4 Si3 - | - C27 H46.5 N5 O4 Si3 - | - C216 H372 N40 O32 Si24 - | 8 | 2 | HA1212 | Rolf Buff; Helen Stoeckli-Evans; Jürg Hunziker | 2'-Deoxy-3',5'-<i>O</i>-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-2'-<i>C</i>-(2-trimethylsilylethynyl)-<small>D</small>-adenosine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1860 | 1862 | 10.1107/S0108270198008117 | 0.71073 | MoKα | 0.0652 | 0.0363 | null | null | null | 0.0779 | null | null | null | null | null | 0.828 | null | null | has coordinates,has disorder | Rolf Buff; Helen Stoeckli-Evans; Jürg Hunziker
2'-Deoxy-3',5'-<i>O</i>-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-2'-<i>C</i>-(2-trimethylsilylethynyl)-<small>D</small>-adenosine
Acta Crystallographica Section C
54(12)
(1998)
1860-1862 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007950.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,951 | 9.215 | 0.005 | 9.607 | 0.008 | 10.575 | 0.005 | 113.24 | 0.04 | 91.76 | 0.03 | 90.84 | 0.05 | 859.5 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Aquabis(2,3-butanedione dioximato)(cyclopentyl)cobalt(III) | - C13 H25 Co N4 O5 - | - C13 H25 Co N4 O5 - | - C26 H50 Co2 N8 O10 - | 2 | 1 | HA1217 | Chen, Ying; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang | Aquabis(2,3-butanedione dioximato-<i>N</i>,<i>N</i>')(cyclopentyl)cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1823 | 1825 | 10.1107/S0108270198009068 | 0.71073 | MoKα | 0.083 | 0.068 | null | 0.157 | 0.15 | null | null | null | 0.954 | 1.099 | 1.099 | null | null | null | has coordinates | Chen, Ying; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang
Aquabis(2,3-butanedione dioximato-<i>N</i>,<i>N</i>')(cyclopentyl)cobalt(III)
Acta Crystallographica Section C
54(12)
(1998)
1823-1825 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007951.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,952 | 11.532 | 0.0002 | 11.2967 | 0.0002 | 10.3406 | 0.0002 | 90 | null | 96.312 | 0.001 | 90 | null | 1,338.94 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,4,4a,4b,5,6,7,8,8a,9a-Decahydro-8,8a-epoxy-1,4-methano-7-methyl-5- nitro fluoren-9(9H)-one | - C15 H17 N O4 - | - C15 H17 N O4 - | - C60 H68 N4 O16 - | 4 | 1 | HA1220 | fun, Hoong-Kun; Chinnakali, Kandasamy; Hazra, Nirmal Kumar; Mal, Dipakranjan; Nigam, Gur Dayal; Razak, Ibrahim Abdul | 1,9a-Epoxy-1,2,3,4,4a,4b,5,8,8a,9a-decahydro-2-methyl-4-nitro-5,8-methano-9<i>H</i>-fluoren-9-one | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1925 | 1927 | 10.1107/S0108270198007549 | 0.71073 | MoKα | 0.066 | 0.048 | null | 0.132 | 0.119 | null | null | null | 1.054 | 1.107 | 1.107 | null | null | null | has coordinates | fun, Hoong-Kun; Chinnakali, Kandasamy; Hazra, Nirmal Kumar; Mal, Dipakranjan; Nigam, Gur Dayal; Razak, Ibrahim Abdul
1,9a-Epoxy-1,2,3,4,4a,4b,5,8,8a,9a-decahydro-2-methyl-4-nitro-5,8-methano-9<i>H</i>-fluoren-9-one
Acta Crystallographica Section C
54(12)
(1998)
1925-1927 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007952.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,953 | 18.155 | 0.005 | 6.871 | 0.002 | 11.077 | 0.003 | 90 | null | 110.96 | 0.02 | 90 | null | 1,290.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | Neocuproine dihydrate | 2,9-Dimethyl-1,10-phenanthroline dihydrate | - C14 H16 N2 O2 - | - C14 H16 N2 O2 - | - C56 H64 N8 O8 - | 4 | 0.5 | HA1227 | Sergio Baggio; Ricardo Baggio; Alvaro W. Mombrú | 2,9-Dimethyl-1,10-phenanthroline Dihydrate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1900 | 1902 | 10.1107/S0108270198009743 | 0.71073 | MoKα | 0.069 | 0.047 | null | null | null | 0.139 | null | null | null | null | null | 1.01 | null | null | has coordinates | Sergio Baggio; Ricardo Baggio; Alvaro W. Mombrú
2,9-Dimethyl-1,10-phenanthroline Dihydrate
Acta Crystallographica Section C
54(12)
(1998)
1900-1902 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007953.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,954 | 15.081 | 0.001 | 15.081 | 0.001 | 16.979 | 0.002 | 90 | null | 90 | null | 90 | null | 3,861.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I -4 2 d | I -4 2bw | 122 | Bis[cadmium(en)3]-tetraiodocadmat-diiodid | Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid | - C12 H48 Cd3 I6 N12 - | - C12 H48 Cd3 I6 N12 - | - C48 H192 Cd12 I24 N48 - | 4 | 0.25 | JZ1291 | Wieczorrek, Carsten; Tebbe, Karl-Friedrich | Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1804 | 1807 | 10.1107/S0108270198007859 | 0.71073 | MoKα | 0.029 | 0.021 | null | 0.033 | null | 0.033 | null | null | 0.966 | null | null | 1.08 | null | null | has coordinates | Wieczorrek, Carsten; Tebbe, Karl-Friedrich
Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid
Acta Crystallographica Section C
54(12)
(1998)
1804-1807 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007954.cif $
#-------------------------------------------------------------------... | |||||||||
2,229,925 | 9.0111 | 0.0014 | 9.1376 | 0.0015 | 17.564 | 0.003 | 96.532 | 0.003 | 100.225 | 0.004 | 108.053 | 0.003 | 1,331 | 0.4 | 120 | 2 | 120 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | <i>N</i>-[Bis(dimethylamino)methylidene]- 2-[(triphenylmethyl)sulfanyl]ethanaminium hexafluorophosphate | - C26 H32 F6 N3 P S - | - C26 H32 F6 N3 P S - | - C52 H64 F12 N6 P2 S2 - | 2 | 1 | BT5504 | Neuba, Adam; Flörke, Ulrich; Henkel, Gerald | <i>N</i>-[Bis(dimethylamino)methylidene]-2-[(triphenylmethyl)sulfanyl]ethanaminium hexafluorophosphate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1238 | o1239 | 10.1107/S1600536811014929 | 0.71073 | MoKα | 0.0727 | 0.0474 | null | null | 0.0954 | 0.1039 | null | null | null | null | null | 0.956 | null | null | has coordinates,has Fobs | Neuba, Adam; Flörke, Ulrich; Henkel, Gerald
<i>N</i>-[Bis(dimethylamino)methylidene]-2-[(triphenylmethyl)sulfanyl]ethanaminium hexafluorophosphate
Acta Crystallographica Section E
67(5)
(2011)
o1238-o1239 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229925.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,955 | 9.952 | 0.003 | 14.687 | 0.002 | 11.599 | 0.005 | 90 | null | 90 | null | 90 | null | 1,695.4 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P n a m | -P 2c 2n | 62 | Cesium-zinc-iodide | Tricesium-zinc-pentaiodide | - Cs3 I5 Zn - | - Cs3 I5 Zn - | - Cs12 I20 Zn4 - | 4 | 0.5 | JZ1293 | Friese, K.; Madariaga, G.; Breczewski, T. | Tricaesium Tetraiodozincate(II) Iodide, Cs~3~ZnI~5~ | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1737 | 1739 | 10.1107/S0108270198008361 | 0.71073 | MoKα | 0.056 | 0.051 | null | 0.136 | 0.1312 | null | null | null | 1.106 | 1.127 | 1.127 | null | null | null | has coordinates | Friese, K.; Madariaga, G.; Breczewski, T.
Tricaesium Tetraiodozincate(II) Iodide, Cs~3~ZnI~5~
Acta Crystallographica Section C
54(12)
(1998)
1737-1739 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007955.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,956 | 13.137 | 0.005 | 9.405 | 0.005 | 12.416 | 0.008 | 90 | null | 96.72 | 0.04 | 90 | null | 1,523.5 | 1.4 | 126 | 2 | 126 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 5,10,15,20-Tetrabutylbacteriochlorin | - C36 H50 N4 - | - C36 H50 N4 - | - C72 H100 N8 - | 2 | 0.5 | JZ1301 | Senge, Mathias O.; Runge, Steffen | Structure and Conformation of Photosynthetic Pigments and Related Compounds. XI. 5,10,15,20-Tetrabutylbacteriochlorin | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1917 | 1919 | 10.1107/S0108270198008749 | 0.71073 | MoKα | 0.091 | 0.056 | null | null | null | 0.141 | null | null | null | null | null | 1.042 | null | null | has coordinates,has disorder,has Fobs | Senge, Mathias O.; Runge, Steffen
Structure and Conformation of Photosynthetic Pigments and Related Compounds. XI. 5,10,15,20-Tetrabutylbacteriochlorin
Acta Crystallographica Section C
54(12)
(1998)
1917-1919 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007956.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,957 | 11.483 | 0.002 | 20.709 | 0.004 | 15.652 | 0.003 | 90 | null | 118.71 | 0.01 | 90 | null | 3,264.5 | 1.1 | 95 | 2 | 95 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Bis(trichlorophosphine)iminium Hexachlorophosphate | Trichloro[(trichlorophosphoranylidene)iminio]phosphorus(V)hexachlorophosphate | - Cl12 N P3 - | - Cl12 N P3 - | - Cl96 N8 P24 - | 8 | 2 | JZ1304 | Belaj, Ferdinand | Bis(trichlorophosphine)iminium Hexachlorophosphate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1735 | 1737 | 10.1107/S0108270198009706 | 0.71069 | MoKα | 0.0539 | 0.0392 | null | null | null | 0.0919 | null | null | null | null | null | 1.115 | null | null | has coordinates | Belaj, Ferdinand
Bis(trichlorophosphine)iminium Hexachlorophosphate
Acta Crystallographica Section C
54(12)
(1998)
1735-1737 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007957.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,958 | 7.1135 | 0.0007 | 16.1388 | 0.0016 | 10.9876 | 0.001 | 90 | null | 99.439 | 0.011 | 90 | null | 1,244.3 | 0.2 | 240 | 2 | 240 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | μ-Pyrazine-N:N'-bis[aqua(N-salicylideneglycinato-O,N,O')copper(II)] dihydrate | - C22 H26 Cu2 N4 O10 - | - C22 H26 Cu2 N4 O10 - | - C44 H52 Cu4 N8 O20 - | 2 | 0.5 | JZ1309 | Warda, Salam A. | μ-Pyrazine-<i>N</i>:<i>N</i>'-bis[aqua(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)] Dihydrate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1756 | 1758 | 10.1107/S0108270198008440 | 0.71073 | MoKα | null | 0.029 | null | null | null | 0.073 | null | null | null | null | null | 0.972 | null | null | has coordinates | Warda, Salam A.
μ-Pyrazine-<i>N</i>:<i>N</i>'-bis[aqua(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)] Dihydrate
Acta Crystallographica Section C
54(12)
(1998)
1756-1758 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007958.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,924 | 19.4755 | 0.001 | 5.621 | 0.0003 | 5.347 | 0.0002 | 90 | null | 97.222 | 0.003 | 90 | null | 580.7 | 0.05 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | Putrescine diperchlorate | Butane-1,4-diammonium bis(perchlorate) | - C4 H14 Cl2 N2 O8 - | - C4 H14 Cl2 N2 O8 - | - C8 H28 Cl4 N4 O16 - | 2 | 0.25 | BT5503 | Arderne, Charmaine; Kruger, Gert J. | Butane-1,4-diammonium bis(perchlorate) | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1060 | 10.1107/S1600536811012025 | 0.71073 | MoKα | 0.0625 | 0.0561 | null | null | 0.1498 | 0.1554 | null | null | null | null | null | 1.165 | null | null | has coordinates,has Fobs | Arderne, Charmaine; Kruger, Gert J.
Butane-1,4-diammonium bis(perchlorate)
Acta Crystallographica Section E
67(5)
(2011)
o1060 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229924.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,959 | 13.6203 | 0.0008 | 10.8747 | 0.0004 | 9.9647 | 0.0003 | 90 | null | 93.774 | 0.004 | 90 | null | 1,472.74 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Aqua(2-methylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II) | - C15 H16 Cu N2 O4 - | - C15 H16 Cu N2 O4 - | - C60 H64 Cu4 N8 O16 - | 4 | 1 | JZ1310 | Warda, Salam A. | Aqua(2-methylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1754 | 1755 | 10.1107/S0108270198009238 | 1.54178 | CuKα | null | 0.0465 | null | null | null | 0.1123 | null | null | null | null | null | 1.017 | null | null | has coordinates | Warda, Salam A.
Aqua(2-methylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
54(12)
(1998)
1754-1755 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007959.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,960 | 22.112 | 0.012 | 11.091 | 0.008 | 15.208 | 0.01 | 90 | null | 120.88 | 0.05 | 90 | null | 3,201 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4-(Di-n-butylstanio)-bis(thio-2-phenylquinazolin) | - C36 H36 N4 S2 Sn - | - C36 H36 N4 S2 Sn - | - C144 H144 N16 S8 Sn4 - | 4 | 0.5 | KA1265 | Viktor Vrábel; Drahomír Oktavec; Július Sivý; Ivan Skačani | Di-<i>n</i>-butylbis(2-phenylquinazoline-4-thiolato-<i>N</i>^3^,<i>S</i>)tin(IV) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1790 | 1791 | 10.1107/S0108270198007574 | 0.71069 | MoKα | 0.112 | 0.043 | null | 0.07 | 0.063 | null | null | null | 0.822 | 1.043 | 1.043 | null | null | null | has coordinates | Viktor Vrábel; Drahomír Oktavec; Július Sivý; Ivan Skačani
Di-<i>n</i>-butylbis(2-phenylquinazoline-4-thiolato-<i>N</i>^3^,<i>S</i>)tin(IV)
Acta Crystallographica Section C
54(12)
(1998)
1790-1791 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007960.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,961 | 8.595 | 0.002 | 10.449 | 0.002 | 11.243 | 0.002 | 68.96 | 0.03 | 81.14 | 0.03 | 66.9 | 0.03 | 866.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | tetraammonium disodium octacosaoxo(dimolybdo)octavanadate decahydrate | - H36 Mo2 N4 Na2 O38 V8 - | - Mo2.02 N4 Na2 O38 V7.98 - | - Mo2.02 N4 Na2 O38 V7.98 - | 1 | 0.5 | KA1273 | Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing | (NH~4~)~4~Na~2~[Mo~2~V^IV^~2~V^V^~6~O~28~].10H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1733 | 1735 | 10.1107/S0108270198008853 | 0.71073 | MoKα | 0.0514 | 0.0464 | null | 0.1507 | 0.1473 | null | null | null | 1.065 | 1.119 | 1.119 | null | null | null | has coordinates | Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing
(NH~4~)~4~Na~2~[Mo~2~V^IV^~2~V^V^~6~O~28~].10H~2~O
Acta Crystallographica Section C
54(12)
(1998)
1733-1735 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007961.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,962 | 8.291 | 0.003 | 11.303 | 0.006 | 13.967 | 0.005 | 90.12 | 0.04 | 98.17 | 0.03 | 111.83 | 0.03 | 1,200.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(2,2'-bipyridine-N,N')(isothiocyanato-N)copper(II) Tricyanomethanide | - C25 H16 Cu N8 S - | - C25 H16 Cu N8 S - | - C50 H32 Cu2 N16 S2 - | 2 | 1 | KA1277 | Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar | Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isothiocyanato-<i>N</i>)copper(II) Tricyanomethanide | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1760 | 1763 | 10.1107/S0108270198007963 | 0.71073 | MoKα | 0.112 | 0.033 | null | 0.098 | null | 0.078 | null | null | 0.645 | null | null | 0.74 | null | null | has coordinates | Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar
Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isothiocyanato-<i>N</i>)copper(II) Tricyanomethanide
Acta Crystallographica Section C
54(12)
(1998)
1760-1763 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007962.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,963 | 6.416 | 0.003 | 10.109 | 0.004 | 10.2 | 0.004 | 109.8 | 0.04 | 103.93 | 0.04 | 95.95 | 0.03 | 591.6 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | tris[tris{(2-hydroxymethyl)methyl}ammonium] D-3-phosphoglycerate | - C15 H40 N3 O16 P - | - C15 H40 N3 O16 P - | - C15 H40 N3 O16 P - | 1 | 1 | KA1281 | Jerzykiewicz, Lucjan B.; Lis, Tadeusz | Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K | Acta Crystallographica Section C | 1,998 | 54 | 12 | 2015 | 2019 | 10.1107/S0108270198007732 | 0.71073 | MoKα | 0.0427 | 0.0313 | null | 0.0887 | 0.082 | null | null | null | 1.128 | 1.117 | 1.117 | null | null | null | has coordinates,has disorder | Jerzykiewicz, Lucjan B.; Lis, Tadeusz
Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K
Acta Crystallographica Section C
54(12)
(1998)
2015-2019 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007963.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,923 | 5.8132 | 0.0001 | 13.388 | 0.0003 | 21.3298 | 0.0005 | 90 | null | 90 | null | 90 | null | 1,660.04 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3β,5α,6β-Trihydroxyandrostan-17-one | - C19 H30 O4 - | - C19 H30 O4 - | - C76 H120 O16 - | 4 | 1 | BT5502 | Andrade, L.C.R.; de Almeida, M.J.B.M.; Paixão, J.A.; Carvalho, J.F.S.; Sá e Melo, M.L. | 3β,5α,6β-Trihydroxyandrostan-17-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1056 | o1057 | 10.1107/S1600536811011706 | 0.71073 | MoKα | 0.0524 | 0.0373 | null | null | 0.0905 | 0.0975 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Andrade, L.C.R.; de Almeida, M.J.B.M.; Paixão, J.A.; Carvalho, J.F.S.; Sá e Melo, M.L.
3β,5α,6β-Trihydroxyandrostan-17-one
Acta Crystallographica Section E
67(5)
(2011)
o1056-o1057 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229923.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,964 | 11.501 | 0.009 | 9.122 | 0.007 | 13.859 | 0.012 | 90 | null | 99.22 | 0.06 | 90 | null | 1,435 | 2 | 85 | 2 | 85 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | tris(cyclohexylammonium) D-3-phosphoglycerate ethanol | - C23 H52 N3 O8 P - | - C23 H52 N3 O8 P - | - C46 H104 N6 O16 P2 - | 2 | 1 | KA1281 | Jerzykiewicz, Lucjan B.; Lis, Tadeusz | Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K | Acta Crystallographica Section C | 1,998 | 54 | 12 | 2015 | 2019 | 10.1107/S0108270198007732 | 0.71073 | MoKα | 0.1003 | 0.0514 | null | 0.1432 | 0.1253 | null | null | null | 1.052 | 1.065 | 1.065 | null | null | null | has coordinates | Jerzykiewicz, Lucjan B.; Lis, Tadeusz
Tris{[tris(2-hydroxymethyl)methyl]ammonium} <small>D</small>-3-Phosphoglycerate at 150K and Tris(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Ethanol Solvate at 85K
Acta Crystallographica Section C
54(12)
(1998)
2015-2019 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007964.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,965 | 8.599 | 0.002 | 11.992 | 0.002 | 14.844 | 0.004 | 90 | null | 90 | null | 90 | null | 1,530.7 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Dimethylammonium Pentachloroantimonate (III) | - C4 H16 Cl5 N2 Sb - | - C4 H16 Cl5 N2 Sb - | - C16 H64 Cl20 N8 Sb4 - | 4 | 0.5 | KA1283 | Bujak, Maciej; Zaleski, Jacek | Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^ | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1773 | 1777 | 10.1107/S0108270198008865 | 0.71073 | MoKα | 0.0427 | 0.0231 | null | null | null | 0.062 | null | null | null | null | null | 0.973 | null | null | has coordinates | Bujak, Maciej; Zaleski, Jacek
Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^
Acta Crystallographica Section C
54(12)
(1998)
1773-1777 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007965.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,966 | 8.541 | 0.002 | 11.873 | 0.002 | 14.83 | 0.003 | 90 | null | 90 | null | 90 | null | 1,503.9 | 0.5 | 85 | 2 | 300 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Dimethylammonium Pentachloroantimonate (III) | - C4 H16 Cl5 N2 Sb - | - C4 H16 Cl5 N2 Sb - | - C16 H64 Cl20 N8 Sb4 - | 4 | 0.5 | KA1283 | Bujak, Maciej; Zaleski, Jacek | Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^ | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1773 | 1777 | 10.1107/S0108270198008865 | 0.71073 | MoKα | 0.0357 | 0.0278 | null | null | null | 0.055 | null | null | null | null | null | 1.069 | null | null | has coordinates | Bujak, Maciej; Zaleski, Jacek
Bis(dimethylammonium) Pentachloroantimonate(III), on the Deformation of the Octahedral Coordination of Sb^III^
Acta Crystallographica Section C
54(12)
(1998)
1773-1777 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007966.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,967 | 20.118 | 0.004 | 8.358 | 0.002 | 23.444 | 0.005 | 90 | null | 114.02 | 0.03 | 90 | null | 3,600.7 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | {Methyl[2-cyano-2-(hydroxyimino)]ethanimidate}-bipyridine- nitrosodicyanomethanidecopper(II) | - C17 H12 Cu N8 O3 - | - C17 H12 Cu N8 O3 - | - C136 H96 Cu8 N64 O24 - | 8 | 1 | KA1284 | Dunaj-Jurčo, Michal; Mikloš, Dušan; Potočňák, Ivan; Jäger, Lothar | Dicyanonitrosomethanide as a Subject of Nucleophilic Addition of Methanol and as an End-<i>O</i>-Coordinated Ligand in the Same Copper(II) Complex. II. (Bipyridine)(dicyanonitrosomethanido)[methyl(2-cyano-2-hydroxyimino)ethanimidato]copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1763 | 1765 | 10.1107/S0108270198007975 | 0.71073 | MoKα | 0.178 | 0.037 | null | 0.081 | null | 0.065 | null | null | 0.693 | null | null | 0.957 | null | null | has coordinates | Dunaj-Jurčo, Michal; Mikloš, Dušan; Potočňák, Ivan; Jäger, Lothar
Dicyanonitrosomethanide as a Subject of Nucleophilic Addition of Methanol and as an End-<i>O</i>-Coordinated Ligand in the Same Copper(II) Complex. II. (Bipyridine)(dicyanonitrosomethanido)[methyl(2-cyano-2-hydroxyimino)ethanimidato]copper(II)
Acta Cryst... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007967.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,922 | 7.8169 | 0.0004 | 7.0077 | 0.0003 | 15.6586 | 0.0007 | 90 | null | 98.971 | 0.004 | 90 | null | 847.26 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ- pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)] | - C6 H8 N2 Ni O5 - | - C6 H8 N2 Ni O5 - | - C24 H32 N8 Ni4 O20 - | 4 | 1 | BT5501 | Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian | Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m532 | 10.1107/S1600536811011913 | 0.71073 | MoKα | 0.0291 | 0.0245 | null | null | 0.0567 | 0.0586 | null | null | null | null | null | 1.103 | null | null | has coordinates,has Fobs | Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian
Poly[aquabis(μ-formato-κ^2^<i>O</i>:<i>O</i>')(μ-pyrazine-κ^2^<i>N</i>:<i>N</i>')nickel(II)]
Acta Crystallographica Section E
67(5)
(2011)
m532 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229922.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,968 | 8.162 | 0.002 | 9.919 | 0.002 | 22.021 | 0.004 | 90 | null | 90 | null | 90 | null | 1,782.8 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 17-Ethylenedioxyandrost-4-ene-3,6-dione | 17-Ethylenedioxyandrost-4-ene-3,6-dione | - C21 H28 O4 - | - C21 H28 O4 - | - C84 H112 O16 - | 4 | 1 | KA1285 | Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju | 17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1894 | 1898 | 10.1107/S0108270198008385 | 0.71073 | MoKα | 0.066 | 0.0331 | null | 0.0981 | 0.0829 | null | null | null | 1.064 | 1.083 | 1.083 | null | null | null | has coordinates | Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju
17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione
Acta Crystallographica Section C
54(12)
(1998)
1894-1898 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007968.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,969 | 9.854 | 0.002 | 10.86 | 0.002 | 16.524 | 0.003 | 90 | null | 90 | null | 90 | null | 1,768.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 17-Ethylenedioxyandrosta-1,4-diene-3,6-dione | 17-Ethylenedioxyandrosta-1,4-diene-3,6-dione | - C21 H26 O4 - | - C21 H26 O4 - | - C84 H104 O16 - | 4 | 1 | KA1285 | Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju | 17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1894 | 1898 | 10.1107/S0108270198008385 | 0.71073 | MoKα | 0.1084 | 0.0375 | null | 0.1158 | 0.0888 | null | null | null | 1.035 | 1.094 | 1.094 | null | null | null | has coordinates | Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju
17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione
Acta Crystallographica Section C
54(12)
(1998)
1894-1898 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007969.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,970 | 7.9475 | 0.0005 | 8.3767 | 0.0007 | 25.019 | 0.002 | 90 | null | 90 | null | 90 | null | 1,665.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 5β-androstan-3,17-dione | 5β-androstan-3,17-dione | - C19 H28 O2 - | - C19 H28 O2 - | - C76 H112 O8 - | 4 | 1 | KA1287 | Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju | 5β-Androstan-3,17-dione | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1898 | 1900 | 10.1107/S010827019800804X | 1.54178 | CuKα | 0.04 | 0.032 | null | 0.093 | 0.084 | null | null | null | 1.049 | 1.043 | 1.043 | null | null | null | has coordinates | Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju
5β-Androstan-3,17-dione
Acta Crystallographica Section C
54(12)
(1998)
1898-1900 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007970.cif $
#-------------------------------------------------------------------... | |||||||||
2,229,921 | 23.702 | 0.005 | 12.344 | 0.003 | 18.758 | 0.004 | 90 | null | 106.742 | 0.004 | 90 | null | 5,256 | 2 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 2,6-bis({[2-(diphenylmethylidene)hydrazin-1-ylidene]methyl})pyridine | - C33 H25 N5 - | - C33 H25 N5 - | - C264 H200 N40 - | 8 | 1 | BT5500 | Dumitru, Florina; Şerb, Mihaela-Diana; Englert, Ulli | Pyridine-2,6-dicarboxaldehyde bis[(diphenylmethylidene)hydrazone] | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1030 | 10.1107/S1600536811011238 | 0.71073 | MoKα | 0.0788 | 0.0479 | null | null | 0.1024 | 0.1168 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Dumitru, Florina; Şerb, Mihaela-Diana; Englert, Ulli
Pyridine-2,6-dicarboxaldehyde bis[(diphenylmethylidene)hydrazone]
Acta Crystallographica Section E
67(5)
(2011)
o1030 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229921.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,971 | 9.299 | 0.001 | 7.279 | 0.003 | 12.404 | 0.001 | 90 | null | 90.05 | 0.01 | 90 | null | 839.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-phenyl-5-azauracil | 6-phenyl-1,3,5-triazin-2,4[1H,3H]-dione | - C9 H7 N3 O2 - | - C9 H7 N3 O2 - | - C36 H28 N12 O8 - | 4 | 1 | KA1294 | Lowe, Philip R.; Schwalbe, Carl H. | Classical Packing and Stacking in 6-Phenyl-5-azauracil | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1936 | 1938 | 10.1107/S010827019800969X | 0.71073 | MoKα | 0.049 | 0.034 | null | 0.096 | 0.093 | null | null | null | 1.042 | 1.168 | 1.168 | null | null | null | has coordinates | Lowe, Philip R.; Schwalbe, Carl H.
Classical Packing and Stacking in 6-Phenyl-5-azauracil
Acta Crystallographica Section C
54(12)
(1998)
1936-1938 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007971.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,972 | 9.727 | 0.002 | 10.335 | 0.002 | 24.177 | 0.005 | 90 | null | 90 | null | 90 | null | 2,430.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 3β-acetoxy-17β-picolyl-5-androsten-16-one. | - C27 H35 N O3 - | - C27 H35 N O3 - | - C108 H140 N4 O12 - | 4 | 1 | LN1052 | Lazar, Dušan; Stanković, Slobodanka; Sakač, Marija; Penov-Gašić, Katarina; Kovačević, Radmila; Medić-Mijačević, Ljubica; Pilati, Tullio | Structure–Activity Relationships in 16- and 17-Substituted 5-Androstenes: 3β-Acetoxy-17β-picolyl-5-androsten-16-one | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1965 | 1968 | 10.1107/S0108270198009342 | 0.71073 | MoKα | 0.13 | 0.057 | null | 0.19 | 0.133 | null | null | null | 0.893 | 0.926 | 0.926 | null | null | null | has coordinates,has Fobs | Lazar, Dušan; Stanković, Slobodanka; Sakač, Marija; Penov-Gašić, Katarina; Kovačević, Radmila; Medić-Mijačević, Ljubica; Pilati, Tullio
Structure–Activity Relationships in 16- and 17-Substituted 5-Androstenes: 3β-Acetoxy-17β-picolyl-5-androsten-16-one
Acta Crystallographica Section C
54(12)
(1998)
1965-1968 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007972.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,973 | 9.5664 | 0.0012 | 7.0768 | 0.0009 | 14.2175 | 0.001 | 90 | null | 108.137 | 0.007 | 90 | null | 914.69 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | t-butyl 3-[4-(2-bromoethoxy)-3-chlorophenyl]-5-methylisoxasole-4- carboxylate | - C17 H19 Br Cl N O4 - | - C17 H19 Br Cl N O4 - | - C34 H38 Br2 Cl2 N2 O8 - | 2 | 1 | LN1061 | Dupont, Léon; Kohl, Michel; Lejeune, Robert | <i>tert</i>-Butyl 3-[4-(2-Bromoethoxy)-3-chlorophenyl]-5-methylisoxazole-4-carboxylate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1957 | 1959 | 10.1107/S0108270198009482 | 1.5418 | CuKα | 0.0391 | 0.0317 | null | null | null | 0.0895 | null | null | null | null | null | 0.942 | null | null | has coordinates | Dupont, Léon; Kohl, Michel; Lejeune, Robert
<i>tert</i>-Butyl 3-[4-(2-Bromoethoxy)-3-chlorophenyl]-5-methylisoxazole-4-carboxylate
Acta Crystallographica Section C
54(12)
(1998)
1957-1959 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007973.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,974 | 15.316 | 0.005 | 19.798 | 0.005 | 14.484 | 0.002 | 90 | null | 90 | null | 90 | null | 4,391.9 | 1.9 | 292 | null | 292 | null | null | null | null | null | 6 | P c c n | -P 2ab 2ac | 56 | Magnesium Sulfate Hexaurea Hemihydrate | - C6 H25 Mg N12 O10.5 S - | - C6 H25 Mg N12 O10.5 S - | - C48 H200 Mg8 N96 O84 S8 - | 8 | 1 | NA1345 | Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova | Magnesium Sulfate Hexaurea Hemihydrate | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1758 | 1760 | 10.1107/S0108270198007070 | 0.71073 | MoKα | null | 0.05 | null | null | null | 0.063 | null | null | null | null | null | 1.057 | null | null | has coordinates | Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova
Magnesium Sulfate Hexaurea Hemihydrate
Acta Crystallographica Section C
54(12)
(1998)
1758-1760 | 191,097 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 16:25:52 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191097 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007974.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,975 | 11.095 | 0.004 | 8.28 | 0.006 | 16.445 | 0.004 | 90 | null | 94.02 | 0.02 | 90 | null | 1,507 | 1.3 | 293 | 2 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Mercuric chloride-2,2^'^:6^'^2^''^-terpyridine | - C15 H11 Cl2 Hg N3 - | - C15 H11 Cl2 Hg N3 - | - C60 H44 Cl8 Hg4 N12 - | 4 | 1 | NA1361 | Matković-Čalogović, Dubravka; Davidović, Naka; Popović, Zora; Žugaj, Željka | Dichloro(2,2':6',2''-terpyridyl-<i>N</i>,<i>N</i>',<i>N</i>'')mercury(II) | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1766 | 1768 | 10.1107/S0108270198009494 | 0.71073 | MoKα | 0.091 | 0.0408 | null | null | null | 0.1048 | null | null | null | null | null | 0.992 | null | null | has coordinates | Matković-Čalogović, Dubravka; Davidović, Naka; Popović, Zora; Žugaj, Željka
Dichloro(2,2':6',2''-terpyridyl-<i>N</i>,<i>N</i>',<i>N</i>'')mercury(II)
Acta Crystallographica Section C
54(12)
(1998)
1766-1768 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007975.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,920 | 5.6424 | 0.0002 | 15.5592 | 0.0007 | 16.9097 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,484.52 | 0.11 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl- 3,4-dihydro-2<i>H</i>-pyrrole 1-oxide | - C14 H17 N O5 S - | - C14 H17 N O5 S - | - C56 H68 N4 O20 S4 - | 4 | 1 | BT5495 | Flores, Mari Fe; Garcia, P.; M. Garrido, Narciso; Sanz, Francisca; Diez, David | (3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1115 | 10.1107/S1600536811010737 | 1.54178 | CuKα | 0.0428 | 0.0344 | null | null | 0.0787 | 0.0835 | null | null | null | null | null | 1.059 | null | null | has coordinates,has Fobs | Flores, Mari Fe; Garcia, P.; M. Garrido, Narciso; Sanz, Francisca; Diez, David
(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide
Acta Crystallographica Section E
67(5)
(2011)
o1115 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229920.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,976 | 18.4255 | 0.0016 | 7.2396 | 0.0006 | 7.6466 | 0.0005 | 90 | null | 101.126 | 0.006 | 90 | null | 1,000.83 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Tetracyano-p-xylene | - C12 H6 N4 - | - C12 H6 N4 - | - C48 H24 N16 - | 4 | 0.5 | NA1363 | Arena, Antonella; Bruno, Giuseppe; Panzalorto, Manuela; Patané, Salvatore; Saitta, Gaetano; Scopelliti, Rosario | Tetracyano-<i>p</i>-xylene | Acta Crystallographica Section C | 1,998 | 54 | 12 | 2003 | 2005 | 10.1107/S0108270198009500 | 0.71073 | MoKα | 0.0489 | 0.0371 | null | 0.1069 | 0.1032 | null | null | null | null | null | null | 0.966 | null | null | has coordinates | Arena, Antonella; Bruno, Giuseppe; Panzalorto, Manuela; Patané, Salvatore; Saitta, Gaetano; Scopelliti, Rosario
Tetracyano-<i>p</i>-xylene
Acta Crystallographica Section C
54(12)
(1998)
2003-2005 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007976.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,977 | 13.38 | 0.002 | 15.14 | 0.003 | 13.634 | 0.001 | 90 | null | 109.46 | 0.01 | 90 | null | 2,604.1 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | dichloro bis(3,5-diphenylpyrazole)copper(II) | - C30 H24 Cl2 Cu N4 - | - C30 H24 Cl2 Cu N4 - | - C120 H96 Cl8 Cu4 N16 - | 4 | 1 | NA1369 | Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M. | Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1770 | 1773 | 10.1107/S0108270198008786 | 1.5418 | CuKα | 0.065 | 0.044 | null | null | null | 0.119 | null | null | null | null | null | 0.896 | null | null | has coordinates,has disorder | Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.
Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles
Acta Crystallographica Section C
54(12)
(1998)
1770-1773 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007977.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,978 | 8.041 | 0.002 | 15.768 | 0.003 | 14.549 | 0.002 | 90 | null | 91.73 | 0.02 | 90 | null | 1,843.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | dichlorobis(5-phenylpyrazole)copper(II) | - C18 H16 Cl2 Cu N4 - | - C18 H16 Cl2 Cu N4 - | - C72 H64 Cl8 Cu4 N16 - | 4 | 1 | NA1369 | Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M. | Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1770 | 1773 | 10.1107/S0108270198008786 | 1.5418 | CuKα | 0.086 | 0.045 | null | null | null | 0.11 | null | null | null | null | null | 0.824 | null | null | has coordinates | Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.
Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles
Acta Crystallographica Section C
54(12)
(1998)
1770-1773 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007978.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,919 | 10.7864 | 0.0003 | 11.1264 | 0.0003 | 21.9775 | 0.0005 | 90 | null | 90 | null | 90 | null | 2,637.6 | 0.12 | 150 | null | 150 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | (2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone | - C12 H12 Cl N3 O5 - | - C12 H12 Cl N3 O5 - | - C96 H96 Cl8 N24 O40 - | 8 | 1 | BT5492 | Luo, Xun; Huang, Yun-Chuang; Gao, Chao; Yu, Luo-Ting | (2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1066 | 10.1107/S1600536811011469 | 0.7107 | MoKα | 0.0437 | 0.0331 | null | null | 0.0711 | 0.0765 | null | null | null | null | null | 1.047 | null | null | has coordinates,has Fobs | Luo, Xun; Huang, Yun-Chuang; Gao, Chao; Yu, Luo-Ting
(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone
Acta Crystallographica Section E
67(5)
(2011)
o1066 | 301,805 | 2025-08-19 | 13:58:39 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229919.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,979 | 14.795 | 0.001 | 14.795 | 0.001 | 16.634 | 0.002 | 90 | null | 90 | null | 90 | null | 3,641 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I 41 c d | I 4bw -2c | 110 | dichloro bis (1-phenylpyrazole) copper (II) | - C18 H16 Cl2 Cu N4 - | - C18 H16 Cl2 Cu N4 - | - C144 H128 Cl16 Cu8 N32 - | 8 | 0.5 | NA1369 | Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M. | Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1770 | 1773 | 10.1107/S0108270198008786 | 1.5418 | CuKα | 0.034 | 0.027 | null | null | null | 0.063 | null | null | null | null | null | 0.923 | null | null | has coordinates | Małecka, Magdalena; Grabowski, Mieczysław J.; Olszak, Tomasz A.; Kostka, K.; Strawiak, M.
Investigations of Complexes of Copper(II) Chloride with Phenylpyrazoles
Acta Crystallographica Section C
54(12)
(1998)
1770-1773 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007979.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,980 | 9.7898 | 0.0009 | 7.3974 | 0.0006 | 17.292 | 0.002 | 90 | null | 99.368 | 0.006 | 90 | null | 1,235.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | N,N'-Bis(1-naphthylmethyl)-1,7-dioxa-4,10-diazacyclododecano | - C30 H34 N2 O2 - | - C30 H34 N2 O2 - | - C60 H68 N4 O4 - | 2 | 0.5 | NA1370 | Alessandra Forni | Two Macrocyclic Azacrown Ethers | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1921 | 1923 | 10.1107/S0108270198007550 | 0.71073 | MoKα | 0.0652 | 0.0323 | null | 0.0789 | 0.0707 | null | null | null | 0.855 | 1.038 | 1.038 | null | null | null | has coordinates | Alessandra Forni
Two Macrocyclic Azacrown Ethers
Acta Crystallographica Section C
54(12)
(1998)
1921-1923 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007980.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,981 | 11.369 | 0.003 | 12.175 | 0.003 | 12.268 | 0.003 | 64.42 | 0.02 | 72.89 | 0.02 | 73.37 | 0.02 | 1,438.7 | 0.7 | 245 | 2 | 245 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,10,16,22-tetra(1-naphthylmethyl)-1,7,13,19-tetraoxa-4,10,16,22- tetraazacyclotetracosano | - C62 H72 Cl4 N4 O4 - | - C62 H72 Cl4 N4 O4 - | - C62 H72 Cl4 N4 O4 - | 1 | 0.5 | NA1370 | Alessandra Forni | Two Macrocyclic Azacrown Ethers | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1921 | 1923 | 10.1107/S0108270198007550 | 0.71073 | MoKα | 0.0571 | 0.0355 | null | 0.0952 | 0.084 | null | null | null | 0.948 | 1.073 | 1.073 | null | null | null | has coordinates,has disorder | Alessandra Forni
Two Macrocyclic Azacrown Ethers
Acta Crystallographica Section C
54(12)
(1998)
1921-1923 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007981.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,982 | 8.103 | 0.004 | 5.686 | 0.003 | 14.27 | 0.008 | 90 | null | 95.94 | 0.04 | 90 | null | 653.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | trans-2,2'-dichloro-4,4'-dimethylazobenzene | - C14 H12 Cl2 N2 - | - C14 H12 Cl2 N2 - | - C28 H24 Cl4 N4 - | 2 | 0.5 | NA1372 | Crispini, Alessandra; Ghedini, Mauro; Pucci, Daniela | <i>trans</i>-2,2'-Dichloro-4,4'-dimethylazobenzene | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1869 | 1871 | 10.1107/S0108270198008798 | 0.71073 | MoKα | 0.0491 | 0.0417 | null | 0.1174 | 0.1119 | null | null | null | 1.062 | 1.124 | 1.124 | null | null | null | has coordinates,has Fobs | Crispini, Alessandra; Ghedini, Mauro; Pucci, Daniela
<i>trans</i>-2,2'-Dichloro-4,4'-dimethylazobenzene
Acta Crystallographica Section C
54(12)
(1998)
1869-1871 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007982.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,983 | 6.8417 | 0.0004 | 10.2086 | 0.0005 | 14.6099 | 0.0008 | 90 | null | 101.574 | 0.005 | 90 | null | 999.67 | 0.1 | 293 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (+) (2R)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-pyrrolidinylium)methyl]piperidine chloride monohydrate | - C18 H27 Cl3 N2 O2 - | - C18 H27 Cl3 N2 O2 - | - C36 H54 Cl6 N4 O4 - | 2 | 1 | NA1373 | Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J. | Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1968 | 1970 | 10.1107/S0108270198008191 | 1.54184 | CuKα | 0.038 | 0.036 | null | 0.103 | null | 0.103 | null | null | 1.041 | null | null | 1.041 | null | null | has coordinates | Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.
Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics
Acta Crystallographica Section C
54(12)
(1998)
1968-1970 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007983.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,984 | 7.0585 | 0.0006 | 7.0673 | 0.0004 | 40.53 | 0.002 | 90 | null | 90 | null | 90 | null | 2,021.8 | 0.2 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (-) (2S)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-piperidinylium)methyl]piperidine chloride | - C19 H27 Cl3 N2 O - | - C19 H27 Cl3 N2 O - | - C76 H108 Cl12 N8 O4 - | 4 | 1 | NA1373 | Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J. | Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1968 | 1970 | 10.1107/S0108270198008191 | 1.54184 | CuKα | 0.034 | 0.032 | null | 0.097 | null | 0.097 | null | null | 1.059 | null | null | 1.059 | null | null | has coordinates | Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.
Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics
Acta Crystallographica Section C
54(12)
(1998)
1968-1970 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007984.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,918 | 13.5504 | 0.0012 | 10.2965 | 0.0009 | 8.9072 | 0.0008 | 90 | null | 108.527 | 0.001 | 90 | null | 1,178.34 | 0.18 | 295 | 2 | 295 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | Hemipotassium hemirubidium digallium(III) manganese(II) tris(phosphate) dihydrate | - Ga2 H4 K0.5 Mn O14 P3 Rb0.5 - | - Ga2 H4 K0.5 Mn O14 P3 Rb0.5 - | - Ga8 H16 K2 Mn4 O56 P12 Rb2 - | 4 | 0.5 | BR2164 | Zhang, Jing; Li, Ping; Liu, Zhi-Hong; Ng, Seik Weng | Hemipotassium hemirubidium digallium(III) manganese(II) tris(phosphate) dihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | i30 | 10.1107/S160053681101258X | 0.71073 | MoKα | 0.0262 | 0.0233 | null | null | 0.064 | 0.0652 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Zhang, Jing; Li, Ping; Liu, Zhi-Hong; Ng, Seik Weng
Hemipotassium hemirubidium digallium(III) manganese(II) tris(phosphate) dihydrate
Acta Crystallographica Section E
67(5)
(2011)
i30 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229918.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,985 | 13.971 | 0.002 | 14.308 | 0.003 | 18.205 | 0.004 | 93.241 | 0.014 | 98.32 | 0.015 | 92.942 | 0.012 | 3,588.5 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | bis(6,6'-dibromo-2,2'-bipyridyl)copper(I) perchlorate | - C20 H12 Br4 Cl Cu N4 O4 - | - C20 H12 Br4 Cl Cu N4 O4 - | - C120 H72 Br24 Cl6 Cu6 N24 O24 - | 6 | 3 | NA1374 | Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C. | [Cu<i>L</i>~2~][ClO~4~] and [Ag<i>L</i>~2~][BF~4~], where <i>L</i> = 6,6'-Dibromo-2,2'-bipyridine | Acta Crystallographica Section C | 1,998 | 54 | 12 | 1820 | 1823 | 10.1107/S0108270198009159 | 0.71073 | MoKα | 0.143 | 0.05 | null | 0.092 | 0.07 | null | null | null | 0.89 | 1.021 | 1.021 | null | null | null | has coordinates,has disorder | Ward, Michael D.; Couchman, Samantha M.; Jeffery, John C.
[Cu<i>L</i>~2~][ClO~4~] and [Ag<i>L</i>~2~][BF~4~], where <i>L</i> = 6,6'-Dibromo-2,2'-bipyridine
Acta Crystallographica Section C
54(12)
(1998)
1820-1823 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/79/2007985.cif $
#-------------------------------------------------------------------... |