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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,009,307 | 5.4835 | 0.0004 | 12.3418 | 0.0008 | 29.4245 | 0.0019 | 90 | null | 90 | null | 90 | null | 1,991.3 | 0.2 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-alanyl-L-phenylalanine–2-propanol solvate (1/2) | - C18 H32 N2 O5 - | - C18 H32 N2 O5 - | - C72 H128 N8 O20 - | 4 | 1 | OS1078 | Görbitz, Carl Henrik | <small>L</small>-Alanyl-<small>L</small>-phenylalanine–2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine–2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine–2-propanol (1/1) (β-form) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2171 | 2177 | 10.1107/S0108270199011415 | 0.71073 | MoKα | 0.113 | 0.076 | null | null | null | 0.203 | null | null | null | null | null | 1.096 | null | null | has coordinates | Görbitz, Carl Henrik
<small>L</small>-Alanyl-<small>L</small>-phenylalanine–2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine–2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine–2-propanol (1/1) (β-form)
Acta Crystallographica Section C
55(12)
(1999)
2171-2177 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#-------------------------------------------------------------------... | ||||||||||
2,009,308 | 9.8958 | 0.0002 | 22.3517 | 0.0006 | 16.4571 | 0.0003 | 90 | null | 90.023 | 0.001 | 90 | null | 3,640.11 | 0.14 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-valyl-L-phenylalanine–2-propanol solvate (1/1) | - C17 H28 N2 O4 - | - C17 H28 N2 O4 - | - C136 H224 N16 O32 - | 8 | 4 | OS1078 | Görbitz, Carl Henrik | <small>L</small>-Alanyl-<small>L</small>-phenylalanine–2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine–2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine–2-propanol (1/1) (β-form) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2171 | 2177 | 10.1107/S0108270199011415 | 0.71069 | MoKα | 0.158 | 0.08 | null | null | null | 0.139 | null | null | null | null | null | 1.018 | null | null | has coordinates | Görbitz, Carl Henrik
<small>L</small>-Alanyl-<small>L</small>-phenylalanine–2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine–2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine–2-propanol (1/1) (β-form)
Acta Crystallographica Section C
55(12)
(1999)
2171-2177 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009308.cif $
#-------------------------------------------------------------------... | ||||||||||
7,106,427 | 9.329 | 0.003 | 17.568 | 0.005 | 18.335 | 0.005 | 90 | null | 105.68 | 0.016 | 90 | null | 2,893.1 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | [Mn(pytren-2Q)](ClO4)2 | - C23 H32 Cl2 Mn N6 O9 - | - C23 H32 Cl2 Mn N6 O9 - | - C92 H128 Cl8 Mn4 N24 O36 - | 4 | 1 | Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio | Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics | Chem.Commun. | 2,011 | 47 | 5988 | 10.1039/c1cc10526d | 0.71073 | MoKα | 0.2763 | 0.1139 | null | null | 0.3114 | 0.4127 | null | null | null | null | null | 1.034 | null | null | has coordinates | Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio
Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics
Chem.Commun.
47
(2011)
5988 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
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2,009,309 | 10.0858 | 0.0002 | 16.3754 | 0.0002 | 11.7987 | 0.0002 | 90 | null | 91.698 | 0.001 | 90 | null | 1,947.81 | 0.06 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-leucyl-L-phenylalanine‒2-propanol solvate (1/1) | - C18 H30 N2 O4 - | - C18 H30.102 N2 O4.051 - | - C72 H120.408 N8 O16.204 - | 4 | 2 | OS1078 | Görbitz, Carl Henrik | <small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2171 | 2177 | 10.1107/S0108270199011415 | 0.71073 | MoKα | 0.153 | 0.079 | null | null | null | 0.169 | null | null | null | null | null | 1.05 | null | null | has coordinates | Görbitz, Carl Henrik
<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)
Acta Crystallographica Section C
55(12)
(1999)
2171-2177 | 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/2/00/93/2009309.cif $
#-------------------------------------------------------------------... | ||||||||||
2,009,310 | 10.586 | 0.002 | 11.925 | 0.002 | 7.803 | 0.002 | 90 | null | 105.64 | 0.03 | 90 | null | 948.6 | 0.4 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | P 1 2/c 1 | -P 2yc | 13 | Diaqua{hydrogen bis[1-(pyridin-2-yl)ethanone oximato-N,N']}nickel(II) perchlorate hydrate. | - C14 H21 Cl N4 Ni O9 - | - C14 H21 Cl N4 Ni O9 - | - C28 H42 Cl2 N8 Ni2 O18 - | 2 | 0.5 | OS1079 | Pajunen, Aarne; Orama, Marjatta; Saarinen, Heikki | Diaqua{hydrogen bis[1-(2-pyridyl)ethanone oximato-<i>N</i>,<i>N</i>']}nickel(II) perchlorate hydrate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2075 | 2077 | 10.1107/S010827019901166X | 0.71073 | MoKα | 0.03 | 0.03 | null | null | null | 0.084 | null | null | null | null | null | 1.115 | null | null | has coordinates | Pajunen, Aarne; Orama, Marjatta; Saarinen, Heikki
Diaqua{hydrogen bis[1-(2-pyridyl)ethanone oximato-<i>N</i>,<i>N</i>']}nickel(II) perchlorate hydrate
Acta Crystallographica Section C
55(12)
(1999)
2075-2077 | 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/2/00/93/2009310.cif $
#-------------------------------------------------------------------... | ||||||||||
2,009,311 | 7.002 | 0.002 | 18.442 | 0.005 | 11.443 | 0.002 | 90 | null | 102.72 | 0.02 | 90 | null | 1,441.4 | 0.6 | 298.2 | null | 298.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 8-methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]- imidazo[1,2-a][1,3]benzimidazol-2(12H)-one | - C16 H13 N3 O2 S - | - C16 H13 N3 O2 S - | - C64 H52 N12 O8 S4 - | 4 | 1 | QA0184 | Moses Babu, J.; Vyas, K.; Prabhakar, C.; Sreenivas Rao, D.; Om Reddy, G. | An omeprazole impurity | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900162 | 10.1107/S0108270199098194 | 1.5418 | CuKα | 0.074 | 0.059 | null | 0.104 | null | 0.094 | null | null | 1.927 | null | null | 1.967 | null | null | has coordinates,has Fobs | Moses Babu, J.; Vyas, K.; Prabhakar, C.; Sreenivas Rao, D.; Om Reddy, G.
An omeprazole impurity
Acta Crystallographica Section C
55(12)
(1999)
IUC9900162 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009311.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,312 | 12.186 | 0.001 | 8.7763 | 0.0009 | 20.4128 | 0.0009 | 90 | null | 104.593 | 0.004 | 90 | null | 2,112.7 | 0.3 | 298.2 | null | 298.2 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-[4-Acetyloxy-3,5,6-trimethyl-1-[4-nitrobenzoyl]oxy-2-yl]butan-2-one | - C22 H23 N O7 - | - C22 H23 N O7 - | - C88 H92 N4 O28 - | 4 | 1 | QA0185 | Prabhakar, C.; Vyas, K.; Moses Babu, J.; Sarma, M. R.; Om Reddy, G. | 4-Acetoxy-3,5,6-trimethyl-2-(3-oxobutyl)phenyl 4-nitrobenzoate | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900160 | 10.1107/S0108270199098212 | 1.5418 | CuKα | 0.0619 | 0.0482 | null | 0.0836 | null | 0.0797 | null | null | 1.799 | null | null | 1.931 | null | null | has coordinates,has Fobs | Prabhakar, C.; Vyas, K.; Moses Babu, J.; Sarma, M. R.; Om Reddy, G.
4-Acetoxy-3,5,6-trimethyl-2-(3-oxobutyl)phenyl 4-nitrobenzoate
Acta Crystallographica Section C
55(12)
(1999)
IUC9900160 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009312.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,313 | 10.136 | 0.005 | 16.778 | 0.006 | 5.066 | 0.006 | 97.62 | 0.07 | 100.65 | 0.06 | 95.95 | 0.04 | 831.9 | 1.1 | 293.2 | null | 293.2 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Celecoxib | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyazol-1-yl]benezenesulfonamide | - C17 H14 F3 N3 O2 S - | - C17 H14 F3 N3 O2 S - | - C34 H28 F6 N6 O4 S2 - | 2 | 1 | QA0186 | Vasu Dev, R.; Shashi Rekha, K.; Vyas, K.; Mohanti, S. B.; Rajender Kumar, P.; Om Reddy, G. | Celecoxib, a COX-II inhibitor | Acta Crystallographica Section C | 1,999 | 55 | 12 | 10.1107/S0108270199098200 | 1.5418 | CuKα | 0.115 | 0.088 | null | 0.096 | null | 0.092 | null | null | 1.746 | null | null | 1.881 | null | null | has coordinates | Vasu Dev, R.; Shashi Rekha, K.; Vyas, K.; Mohanti, S. B.; Rajender Kumar, P.; Om Reddy, G.
Celecoxib, a COX-II inhibitor
Acta Crystallographica Section C
55(12)
(1999)
| 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,426 | 8.7809 | 0.0004 | 15.2321 | 0.0006 | 10.2323 | 0.0005 | 90 | null | 94.03 | 0.005 | 90 | null | 1,365.2 | 0.11 | 120 | 2 | 120 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | [Mn(pytren-4Q)](ClO4)2(H2O) | - C23 H32 Cl2 Mn N6 O9 - | - C23 H32 Cl2 Mn N6 O9 - | - C46 H64 Cl4 Mn2 N12 O18 - | 2 | 1 | Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio | Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics | Chem.Commun. | 2,011 | 47 | 5988 | 10.1039/c1cc10526d | 0.71073 | MoKα | 0.1278 | 0.0746 | null | null | 0.1488 | 0.1806 | null | null | null | null | null | 1.027 | null | null | has coordinates | Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio
Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics
Chem.Commun.
47
(2011)
5988 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106426.cif $
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2,009,314 | 7.7633 | 0.0008 | 22.049 | 0.002 | 13.0223 | 0.0019 | 90 | null | 90 | null | 90 | null | 2,229.1 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,4-Dioxo-7-(D-arabino-1,2,3,4-tetraacetyloxibutyl)-1-methyl- 1,2,3,4-tetrahydropteridine | - C19 H22 N4 O10 - | - C19 H22 N4 O10 - | - C76 H88 N16 O40 - | 4 | 1 | QA0188 | Low, John Nicolson; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo | 7-(<small>D</small>-<i>arabino</i>-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900163 | 10.1107/S0108270199098297 | 0.71073 | MoKα | 0.122 | 0.06 | null | null | null | 0.117 | null | null | null | null | null | 0.939 | null | null | has coordinates,has Fobs | Low, John Nicolson; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo
7-(<small>D</small>-<i>arabino</i>-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione
Acta Crystallographica Section C
55(12)
(1999)
IUC9900163 | 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/2/00/93/2009314.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,315 | 14.3951 | 0.0011 | 8.9771 | 0.0009 | 19.052 | 0.002 | 90 | null | 90 | null | 90 | null | 2,462 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent | - C19 H28 N4 O12 - | - C19 H28 N4 O12 - | - C76 H112 N16 O48 - | 4 | 1 | QA0191 | Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George | Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900164 | 10.1107/S0108270199098285 | 0.71073 | MoKα | 0.088 | 0.054 | null | null | null | 0.148 | null | null | null | null | null | 1.019 | null | null | has coordinates,has Fobs | Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George
Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones
Acta Crystallographica Section C
55(12)
(1999)
IUC9900164 | 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/2/00/93/2009315.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,316 | 9.0315 | 0.0008 | 17.0918 | 0.0013 | 18.1487 | 0.0013 | 90 | null | 90 | null | 90 | null | 2,801.5 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 6-Acetamido-5-N-acetyl-N-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methyl-pyrimidine | - C23 H30 N4 O13 - | - C23 H30 N4 O13 - | - C92 H120 N16 O52 - | 4 | 1 | QA0191 | Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George | Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900164 | 10.1107/S0108270199098285 | 0.71073 | MoKα | 0.074 | 0.039 | null | null | null | 0.099 | null | null | null | null | null | 0.986 | null | null | has coordinates,has Fobs | Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George
Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones
Acta Crystallographica Section C
55(12)
(1999)
IUC9900164 | 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/2/00/93/2009316.cif $
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7,106,425 | 24.36 | 0.04 | 23.37 | 0.07 | 16.13 | 0.03 | 90 | null | 105.104 | 0.015 | 90 | null | 8,865 | 3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C32 H22 Co N4 O6 - | - C32 H22 Co N4 O6 - | - C256 H176 Co8 N32 O48 - | 8 | 1 | Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao | Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets | Chem.Commun. | 2,011 | 47 | 5982 | 10.1039/c1cc10411j | 0.71073 | MoKα | 0.1018 | 0.0887 | null | null | 0.2682 | 0.2848 | null | null | null | null | null | 1.043 | null | null | has coordinates,has disorder | Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao
Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets
Chem.Commun.
47
(2011)
5982 | 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/7/10/64/7106425.cif $
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2,009,317 | 10.055 | 0.002 | 10.405 | 0.002 | 12.138 | 0.002 | 100.89 | 0.03 | 98.99 | 0.03 | 96.72 | 0.03 | 1,217.6 | 0.4 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Piperidinium 6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dione | - C10 H17 N5 O3 - | - C10 H17 N5 O3 - | - C40 H68 N20 O12 - | 4 | 2 | QB0126 | Low, John Nicolson; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo | Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900153 | 10.1107/S0108270199098303 | 0.71073 | MoKα | 0.103 | 0.051 | null | null | null | 0.135 | null | null | null | null | null | 0.988 | null | null | has coordinates,has Fobs | Low, John Nicolson; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sanchez, Adolfo
Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide
Acta Crystallographica Section C
55(12)
(1999)
IUC9900153 | 198,282 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-06-30 12:29:30 +0300 (Fri, 30 Jun 2017) $
#$Revision: 198282 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/93/2009317.cif $
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2,009,318 | 4.9241 | 0.0014 | 4.9241 | null | 23.875 | 0.004 | 90 | null | 90 | null | 120 | null | 501.33 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | R -3 m :H | -R 3 2" | 166 | - La Mg2 Ni9 - | - La Mg2 Ni9 - | - La3 Mg6 Ni27 - | 3 | 0.083333 | QB0128 | Kadir, Karim; Yamamoto, Hitoshi; Sakai, Tetsuo; Uehara, Itsuki; Kanehisa, Noduko; Kai, Yasushi; Eriksson, Lars | LaMg~2~Ni~9~, an example of the new <i>AB</i>~2~<i>C</i>~9~ structure type | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900152 | 10.1107/S0108270199098418 | 0.71069 | MoKα | 0.051 | 0.049 | null | null | null | 0.145 | null | null | null | null | null | 1.086 | null | null | has coordinates,has Fobs | Kadir, Karim; Yamamoto, Hitoshi; Sakai, Tetsuo; Uehara, Itsuki; Kanehisa, Noduko; Kai, Yasushi; Eriksson, Lars
LaMg~2~Ni~9~, an example of the new <i>AB</i>~2~<i>C</i>~9~ structure type
Acta Crystallographica Section C
55(12)
(1999)
IUC9900152 | 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/2/00/93/2009318.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,009,319 | 19.477 | 0.004 | 17.178 | 0.003 | 15.262 | 0.003 | 90 | null | 107.23 | 0.03 | 90 | null | 4,877.1 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | O,O-two(β-trinitrideethyl)-α-p-toluenesulfonamido-α-m- nitrobenzalphospite | - C18 H21 N8 O7 P S - | - C18 H21 N8 O7 P S - | - C144 H168 N64 O56 P8 S8 - | 8 | 2 | QB0129 | Zhang, Jin-nan; Ye, Ling; Xi, Hong-wei; Li, Qi | Bis(2-azidoethyl) [(3-methylphenyl)(<i>p</i>-toluenesulfonamido)methyl]phosphonate | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900157 | 10.1107/S0108270199098224 | 0.71073 | MoKα | 0.106 | 0.061 | null | 0.232 | 0.161 | null | null | null | 1.043 | 1.121 | 1.121 | null | null | null | has coordinates | Zhang, Jin-nan; Ye, Ling; Xi, Hong-wei; Li, Qi
Bis(2-azidoethyl) [(3-methylphenyl)(<i>p</i>-toluenesulfonamido)methyl]phosphonate
Acta Crystallographica Section C
55(12)
(1999)
IUC9900157 | 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/2/00/93/2009319.cif $
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7,106,424 | 7.601 | 0.002 | 29.239 | 0.008 | 14.315 | 0.004 | 90 | null | 96.331 | 0.005 | 90 | null | 3,162 | 1.5 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C32 H32 Co N6 O8 - | - C32 H32 Co N6 O8 - | - C128 H128 Co4 N24 O32 - | 4 | 0.5 | Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao | Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets | Chem.Commun. | 2,011 | 47 | 5982 | 10.1039/c1cc10411j | 0.71073 | MoKα | 0.0791 | 0.0633 | null | null | 0.1603 | 0.182 | null | null | null | null | null | 1.111 | null | null | has coordinates | Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao
Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets
Chem.Commun.
47
(2011)
5982 | 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/7/10/64/7106424.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,009,320 | 10.0695 | 0.0008 | 8.2112 | 0.0006 | 29.701 | 0.003 | 90 | null | 90 | null | 90 | null | 2,455.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | Phenylferrocene | Phenylferrocene | - C16 H14 Fe - | - C16 H14 Fe - | - C128 H112 Fe8 - | 8 | 1 | QB0130 | Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L. | Phenylferrocene | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900154 | 10.1107/S0108270199098406 | 0.71073 | MoKα | 0.104 | 0.04 | null | null | null | 0.092 | null | null | null | null | null | 1.019 | null | null | has coordinates,has Fobs | Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L.
Phenylferrocene
Acta Crystallographica Section C
55(12)
(1999)
IUC9900154 | 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/2/00/93/2009320.cif $
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2,009,321 | 6.728 | 0.0008 | 6.728 | 0.0019 | 6.728 | 0.0013 | 90 | null | 90 | null | 90 | null | 304.55 | 0.11 | 293 | 2 | null | null | null | null | null | null | 3 | F m -3 m | -F 4 2 3 | 225 | - B H4 K - | - B H4 K - | - B4 H16 K4 - | 4 | 0.020833 | QB0131 | Luck, Rudy L.; Schelter, Eric J. | Potassium borohydride | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900151 | 10.1107/S010827019909842X | 0.71073 | MoKα | null | 0.005 | null | null | null | 0.011 | null | null | null | null | null | 1.239 | null | null | has coordinates,has Fobs | Luck, Rudy L.; Schelter, Eric J.
Potassium borohydride
Acta Crystallographica Section C
55(12)
(1999)
IUC9900151 | 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/2/00/93/2009321.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,009,322 | 9.139 | 0.001 | 13.522 | 0.002 | 17.737 | 0.002 | 90 | null | 90 | null | 90 | null | 2,191.9 | 0.5 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Bis(methylcyclopentadienyl)(piperidino-N)ytterbium piperidinate | - C22 H35 N2 Yb - | - C22 H35 N2 Yb - | - C88 H140 N8 Yb4 - | 4 | 1 | QB0132 | Wang, Yaorong; Yao, Yingming; Shen, Qi; Yu, Kaibei | Bis(η^5^-methylcyclopentadienyl)(piperidine-<i>N</i>)(piperidinido-<i>N</i>)ytterbium | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900159 | 10.1107/S0108270199098376 | 0.71073 | MoKα | 0.029 | 0.024 | null | null | null | 0.055 | null | null | null | null | null | 0.96 | null | null | has coordinates | Wang, Yaorong; Yao, Yingming; Shen, Qi; Yu, Kaibei
Bis(η^5^-methylcyclopentadienyl)(piperidine-<i>N</i>)(piperidinido-<i>N</i>)ytterbium
Acta Crystallographica Section C
55(12)
(1999)
IUC9900159 | 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/2/00/93/2009322.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,323 | 10.4027 | 0.0002 | 11.5682 | 0.0002 | 14.9296 | 0.0003 | 77.0833 | 0.0013 | 72.0218 | 0.0012 | 85.2316 | 0.0011 | 1,665.48 | 0.06 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Dimethyl-2-(6-benzyloxy-2-methylthio-4-pyrimidinyl)imino-3-(triphenyl- λ^5^-phosphanylidene)succinate | - C36 H32 N3 O5 P S - | - C36 H32 N3 O5 P S - | - C72 H64 N6 O10 P2 S2 - | 2 | 1 | QB0133 | Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Low, John Nicolson | Dimethyl 2-(6-benzyloxy-2-methylthiopyrimidin-4-yl)imino-3-(triphenyl-λ^5^-phosphanylidene)succinate | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900150 | 10.1107/S0108270199098315 | 0.71073 | MoKα | 0.065 | 0.042 | null | null | null | 0.128 | null | null | null | null | null | 1.077 | null | null | has coordinates,has Fobs | Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Low, John Nicolson
Dimethyl 2-(6-benzyloxy-2-methylthiopyrimidin-4-yl)imino-3-(triphenyl-λ^5^-phosphanylidene)succinate
Acta Crystallographica Section C
55(12)
(1999)
IUC9900150 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009323.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,324 | 33.1828 | 0.0016 | 6.3349 | 0.0007 | 5.5592 | 0.0008 | 90 | null | 92.406 | 0.007 | 90 | null | 1,167.6 | 0.2 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | L-Alanyl-L-leucine hemihydrate | - C9 H19 N2 O3.5 - | - C9 H19 N2 O3.5 - | - C36 H76 N8 O14 - | 4 | 1 | QB0134 | Görbitz, Carl Henrik | <small>L</small>-Alanyl-<small>L</small>-leucine hemihydrate | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900149 | 10.1107/S0108270199098327 | 0.71073 | MoKα | 0.0798 | 0.0752 | null | null | null | 0.1978 | null | null | null | null | null | 1.156 | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik
<small>L</small>-Alanyl-<small>L</small>-leucine hemihydrate
Acta Crystallographica Section C
55(12)
(1999)
IUC9900149 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009324.cif $
#-------------------------------------------------------------------... | |||||||||||
7,106,423 | 22.162 | 0.002 | 20.532 | 0.002 | 16.1364 | 0.0015 | 90 | null | 95.937 | 0.002 | 90 | null | 7,303.2 | 1.2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C36 H34 Co N6 O8 - | - C34.5 H30.5 Co N5.5 O7.5 - | - C276 H244 Co8 N44 O60 - | 8 | 1 | Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao | Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets | Chem.Commun. | 2,011 | 47 | 5982 | 10.1039/c1cc10411j | 0.71073 | MoKα | 0.1412 | 0.0808 | null | null | 0.2389 | 0.2795 | null | null | null | null | null | 0.993 | null | null | has coordinates | Yun Gong; Tian-Fu Liu; Jian Lu; Davide Proserpio; Rong Cao
Interpenetrated metal-organic frameworks of self-catenated four-connected mok nets
Chem.Commun.
47
(2011)
5982 | 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/7/10/64/7106423.cif $
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2,009,325 | 11.2104 | 0.0002 | 11.009 | 0.0002 | 30.5831 | 0.0006 | 90 | null | 93.44 | 0.001 | 90 | null | 3,767.62 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | diazidobis(4,4'-di-tert-butyl-2,2'-bipyridine-N,N')manganese(II) | - C36 H48 Mn N10 - | - C36 H48 Mn N10 - | - C144 H192 Mn4 N40 - | 4 | 1 | QB0135 | Shen, Zhen; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zuo, Jing-lin; You, Xiao-Zeng | Diazidobis(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II) | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900167 | 10.1107/S0108270199098352 | 0.71073 | MoKα | 0.103 | 0.058 | null | null | null | 0.155 | null | null | null | null | null | 0.939 | null | null | has coordinates | Shen, Zhen; Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zuo, Jing-lin; You, Xiao-Zeng
Diazidobis(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-<i>N</i>,<i>N</i>')manganese(II)
Acta Crystallographica Section C
55(12)
(1999)
IUC9900167 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009325.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,326 | 7.8759 | 0.0002 | 13.4002 | 0.0003 | 7.2779 | 0.0001 | 90 | null | 110.632 | 0.001 | 90 | null | 718.84 | 0.03 | 173 | null | 173 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C6 H8 Cl N - | - C6 H8 Cl N - | - C24 H32 Cl4 N4 - | 4 | 0.5 | QB0137 | Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael | Three hydrohalogenides of organic nitrogen bases | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900156 | 10.1107/S0108270199098261 | 0.71073 | MoKα | 0.0344 | 0.031 | null | 0.083 | 0.0809 | 0.083 | null | null | 1.112 | null | null | 1.112 | null | null | has coordinates,has Fobs | Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael
Three hydrohalogenides of organic nitrogen bases
Acta Crystallographica Section C
55(12)
(1999)
IUC9900156 | 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/2/00/93/2009326.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,009,327 | 7.396 | 0.001 | 15.277 | 0.003 | 12.336 | 0.002 | 90 | null | 91.23 | 0.02 | 90 | null | 1,393.5 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H8 Cl N - | - C6 H8 Cl N - | - C48 H64 Cl8 N8 - | 8 | 2 | QB0137 | Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael | Three hydrohalogenides of organic nitrogen bases | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900156 | 10.1107/S0108270199098261 | 0.71073 | MoKα | 0.185 | 0.087 | null | null | null | 0.151 | null | null | null | null | null | 1.055 | null | null | has coordinates,has Fobs | Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael
Three hydrohalogenides of organic nitrogen bases
Acta Crystallographica Section C
55(12)
(1999)
IUC9900156 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009327.cif $
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2,009,328 | 12.973 | 0.002 | 6.491 | 0.001 | 8.327 | 0.001 | 90 | null | 90 | null | 90 | null | 701.2 | 0.17 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - C6 H8 Br N - | - C6 H8 Br N - | - C24 H32 Br4 N4 - | 4 | 0.5 | QB0137 | Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael | Three hydrohalogenides of organic nitrogen bases | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900156 | 10.1107/S0108270199098261 | 0.71073 | MoKα | 0.03 | 0.026 | null | null | null | 0.058 | null | null | null | null | null | 1.171 | null | null | has coordinates,has Fobs | Faber, Alexander; Lemke, Alexander; Spangenberg, Björn; Bolte, Michael
Three hydrohalogenides of organic nitrogen bases
Acta Crystallographica Section C
55(12)
(1999)
IUC9900156 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009328.cif $
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7,106,422 | 7.0826 | 0.0002 | 12.5439 | 0.0004 | 16.0868 | 0.0006 | 82.669 | 0.001 | 78.708 | 0.002 | 84.163 | 0.002 | 1,385.75 | 0.08 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H35 Cl N8 O7 - | - C24 H35 Cl N8 O7 - | - C48 H70 Cl2 N16 O14 - | 2 | 1 | R.J.Less; V.Naseri; M.McPartlin; D.S.Wright | Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase | Chem.Commun. | 2,011 | 47 | 6129 | 10.1039/c1cc00053e | 0.71073 | MoKα | 0.1147 | 0.0755 | null | null | 0.2071 | 0.2367 | null | null | null | null | null | 1.017 | null | null | has coordinates | R.J.Less; V.Naseri; M.McPartlin; D.S.Wright
Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase
Chem.Commun.
47
(2011)
6129 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106422.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,009,329 | 12.639 | 0.006 | 13.674 | 0.006 | 16.599 | 0.006 | 109.19 | 0.02 | 101.56 | 0.02 | 91.71 | 0.02 | 2,640 | 2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Octabutyl 1-κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C- tetrakis[μ-(2,3-diphenylquinoxalinyl-8-carboxylato)]- 1:2κ^2^O,O';2:3κ^2^O;3:4κ^2^O,O';1:4κ^2^O- bis-μ~3~-oxo-1:2:3κ^3^O-tetratin | - C116 H124 N8 O10 Sn4 - | - C116 H124 N8 O10 Sn4 - | - C116 H124 N8 O10 Sn4 - | 1 | 0.5 | QB0138 | Lo, Kong Mun; Ng, Seik Weng | Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane] | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900155 | 10.1107/S010827019909839X | 0.71073 | MoKα | 0.139 | 0.07 | null | null | null | 0.172 | null | null | null | null | null | 1.01 | null | null | has coordinates,has disorder | Lo, Kong Mun; Ng, Seik Weng
Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane]
Acta Crystallographica Section C
55(12)
(1999)
IUC9900155 | 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/2/00/93/2009329.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,330 | 22.474 | 0.006 | 7.36 | 0.001 | 18.283 | 0.005 | 90 | null | 122.85 | 0.01 | 90 | null | 2,540.6 | 1.1 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C12 H8 Cu N4 O4 - | - C12 H8 Cu N4 O4 - | - C96 H64 Cu8 N32 O32 - | 8 | 1 | QB0139 | Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry | Dinitrito(1,10-phenanthroline)copper(II) | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900158 | 10.1107/S0108270199098388 | 0.71073 | MoKα | null | 0.034 | null | null | null | 0.051 | null | null | null | null | null | 1.87 | null | null | has coordinates,has Fobs | Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry
Dinitrito(1,10-phenanthroline)copper(II)
Acta Crystallographica Section C
55(12)
(1999)
IUC9900158 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009330.cif $
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2,009,331 | 12.4124 | 0.0005 | 13.8275 | 0.0004 | 14.3744 | 0.0006 | 91.747 | 0.002 | 106.638 | 0.0017 | 99.61 | 0.002 | 2,322.64 | 0.15 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4-(4-chlorophenyl)-5-cyano-3-(4-methylphenyl)-6-diphenyl-4,7-dihydro-2H-pyrazolo [3,4-b]pyridine:dimethylformamide (2/1) | - C55 H45 Cl2 N9 O - | - C55 H45 Cl2 N9 O - | - C110 H90 Cl4 N18 O2 - | 2 | 1 | QB0140 | Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson | Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900168 | 10.1107/S0108270199098273 | 0.71073 | MoKα | 0.16 | 0.062 | null | null | null | 0.162 | null | null | null | null | null | 0.934 | null | null | has coordinates,has Fobs | Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson
Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines
Acta Crystallographica Section C
55(12)
(1999)
IUC9900168 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,009,332 | 15.6264 | 0.0003 | 12.4397 | 0.0002 | 21.1296 | 0.0004 | 90 | null | 91.4371 | 0.0009 | 90 | null | 4,106.04 | 0.13 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 5-Cyano-4-(4-methoxyphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo- [3,4-b]pyridine | - C26 H20 N4 O - | - C26 H20 N4 O - | - C208 H160 N32 O8 - | 8 | 1 | QB0140 | Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson | Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900168 | 10.1107/S0108270199098273 | 0.71073 | MoKα | 0.0561 | 0.0477 | null | null | null | 0.1288 | null | null | null | null | null | 1.057 | null | null | has coordinates,has Fobs | Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson
Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines
Acta Crystallographica Section C
55(12)
(1999)
IUC9900168 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,421 | 13.9707 | 0.0003 | 9.3155 | 0.0002 | 14.8029 | 0.0003 | 90 | null | 106.888 | 0.001 | 90 | null | 1,843.43 | 0.07 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C30 H56 Li2 N10 Sn2 - | - C30 H56 Li2 N10 Sn2 - | - C60 H112 Li4 N20 Sn4 - | 2 | 0.5 | R.J.Less; V.Naseri; M.McPartlin; D.S.Wright | Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase | Chem.Commun. | 2,011 | 47 | 6129 | 10.1039/c1cc00053e | 0.71073 | MoKα | 0.0559 | 0.0361 | null | null | 0.0794 | 0.0869 | null | null | null | null | null | 1.036 | null | null | has coordinates,has disorder | R.J.Less; V.Naseri; M.McPartlin; D.S.Wright
Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase
Chem.Commun.
47
(2011)
6129 | 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/7/10/64/7106421.cif $
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2,009,333 | 6.6222 | 0.0005 | 11.0791 | 0.001 | 28.264 | 0.002 | 90 | null | 96.248 | 0.005 | 90 | null | 2,061.4 | 0.3 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,4-Bis(4-chlorophenyl)-5-cyano-6-phenyl-1H-pyrazolo-[3,4-b]pyridine | - C25 H14 Cl2 N4 - | - C25 H14 Cl2 N4 - | - C100 H56 Cl8 N16 - | 4 | 1 | QB0140 | Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson | Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900168 | 10.1107/S0108270199098273 | 0.71073 | MoKα | 0.16 | 0.0576 | null | null | null | 0.115 | null | null | null | null | null | 0.935 | null | null | has coordinates,has Fobs | Quiroga, Jairo; Cruz, Silvia; Insuasty, Braulio; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo; Low, John Nicolson
Three 3-aryl-5-cyanopyrazolo[3,4-<i>b</i>]pyridines
Acta Crystallographica Section C
55(12)
(1999)
IUC9900168 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009333.cif $
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2,009,334 | 15.758 | 0.003 | 15.306 | 0.002 | 14.496 | 0.002 | 90 | null | 90 | null | 90 | null | 3,496.3 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | Perchlorato[(5RS,9SR)-1,5,9,13-tetraazatridecane]copper(II) perchlorate | - C9 H24 Cl2 Cu N4 O8 - | - C9 H24 Cl2 Cu N4 O8 - | - C72 H192 Cl16 Cu8 N32 O64 - | 8 | 1 | QB0141 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun | [(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900172 | 10.1107/S0108270199098339 | 0.71073 | MoKα | 0.165 | 0.058 | null | null | null | 0.164 | null | null | null | null | null | 0.955 | null | null | has coordinates,has Fobs | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun
[(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate
Acta Crystallographica Section C
55(12)
(1999)
IUC9900172 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009334.cif $
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2,009,335 | 9.266 | 0.001 | 9.664 | 0.001 | 16.649 | 0.001 | 90 | null | 98.47 | 0.01 | 90 | null | 1,474.6 | 0.2 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H14 N2 - | - C20 H14 N2 - | - C80 H56 N8 - | 4 | 1 | QB0143 | Jerdioui, Badia; Zenkouar, Mohammed; El-Bali, Brahim; Bolte, Michael | <i>trans</i>-Bis(4-quinolyl)ethylene | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900169 | 10.1107/S0108270199098248 | 0.71073 | MoKα | 0.0554 | 0.0386 | null | null | null | 0.1046 | null | null | null | null | null | 1.007 | null | null | has coordinates,has Fobs | Jerdioui, Badia; Zenkouar, Mohammed; El-Bali, Brahim; Bolte, Michael
<i>trans</i>-Bis(4-quinolyl)ethylene
Acta Crystallographica Section C
55(12)
(1999)
IUC9900169 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009335.cif $
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7,106,420 | 13.8673 | 0.0001 | 18.7128 | 0.0002 | 20.1729 | 0.0003 | 97.486 | 0.001 | 104.43 | 0.001 | 103.962 | 0.001 | 4,817.84 | 0.1 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C78 H122 Li4 N28 Sn7 - | - C78 H122 Li4 N28 Sn7 - | - C156 H244 Li8 N56 Sn14 - | 2 | 1 | R.J.Less; V.Naseri; M.McPartlin; D.S.Wright | Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase | Chem.Commun. | 2,011 | 47 | 6129 | 10.1039/c1cc00053e | 0.71073 | MoKα | 0.0851 | 0.0559 | null | null | 0.162 | 0.1854 | null | null | null | null | null | 1.074 | null | null | has coordinates,has disorder | R.J.Less; V.Naseri; M.McPartlin; D.S.Wright
Oxidative Dehydrocoupling of N-H Bonds Using a Redox-Active Main Group Superbase
Chem.Commun.
47
(2011)
6129 | 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/7/10/64/7106420.cif $
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2,009,336 | 8.856 | 0.001 | 9.349 | 0.001 | 19.778 | 0.001 | 90 | null | 90 | null | 90 | null | 1,637.5 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 4-Phenyl-but-3-en-2-one | - C10 H10 O - | - C10 H10 O - | - C80 H80 O8 - | 8 | 1 | QB0145 | Degen, Alexander; Bolte, Michael | 4-Phenylbut-3-en-2-one (benzalacetone) | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900170 | 10.1107/S0108270199098236 | 0.71073 | MoKα | 0.0496 | 0.0411 | null | null | null | 0.1218 | null | null | null | null | null | 1.108 | null | null | has coordinates,has Fobs | Degen, Alexander; Bolte, Michael
4-Phenylbut-3-en-2-one (benzalacetone)
Acta Crystallographica Section C
55(12)
(1999)
IUC9900170 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,009,337 | 20.1188 | 0.0002 | 30.5945 | 0.0004 | 14.5526 | 0.0002 | 90 | null | 107.048 | 0.001 | 90 | null | 8,563.89 | 0.19 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | /m-Oxo-/m-chloro-acetato-bis(dichlorotriphenylphosphinerhenium) chlorofrom solvate | - C39 H34 Cl8 O3 P2 Re2 - | - C39 H34 Cl8 O3 P2 Re2 - | - C312 H272 Cl64 O24 P16 Re16 - | 8 | 2 | QB0147 | Powell, Clem; Burrell, Anthony K. | μ-Acetato-μ-chloro-μ-oxo-bis[dichloro(triphenylphosphine)rhenium] chloroform solvate | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900171 | 10.1107/S0108270199098340 | 0.71073 | MoKα | 0.052 | 0.037 | null | null | null | 0.091 | null | null | null | null | null | 1.199 | null | null | has coordinates,has Fobs | Powell, Clem; Burrell, Anthony K.
μ-Acetato-μ-chloro-μ-oxo-bis[dichloro(triphenylphosphine)rhenium] chloroform solvate
Acta Crystallographica Section C
55(12)
(1999)
IUC9900171 | 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/2/00/93/2009337.cif $
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2,009,338 | 11.333 | 0.002 | 16.949 | 0.003 | 13.344 | 0.002 | 90 | null | 108.17 | 0.01 | 90 | null | 2,435.3 | 0.7 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C30 H23 N3 O4 - | - C30 H23 N3 O4 - | - C120 H92 N12 O16 - | 4 | 1 | QB0148 | Badri, Rahima; Kerbal, Abdelali; Najib, Bitit; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael | 3'-(<i>p</i>-Nitrophenyl)-2-phenyl-4'-(<i>p</i>-tolyl)spiro[isoquinoline-3(2<i>H</i>),5'(4'<i>H</i>)-isoxazolin]-4(1<i>H</i>)-one | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900165 | 10.1107/S010827019909825X | 0.71073 | MoKα | 0.093 | 0.052 | null | null | null | 0.125 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Badri, Rahima; Kerbal, Abdelali; Najib, Bitit; El-Bali, Brahim; Escudie, Jean; Ranaivonjatovo, Henry; Bolte, Michael
3'-(<i>p</i>-Nitrophenyl)-2-phenyl-4'-(<i>p</i>-tolyl)spiro[isoquinoline-3(2<i>H</i>),5'(4'<i>H</i>)-isoxazolin]-4(1<i>H</i>)-one
Acta Crystallographica Section C
55(12)
(1999)
IUC9900165 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009338.cif $
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2,009,339 | 13.919 | 0.004 | 9.211 | 0.004 | 14.856 | 0.004 | 90 | null | 107.7 | 0.02 | 90 | null | 1,814.5 | 1.1 | 296.2 | null | null | null | null | null | null | null | 5 | P 1 2/c 1 | -P 2yc | 13 | [1,3-dithiol-4,5-(3,4,5,6-tetramethylthio)-benzo-2-ylidnene, dichloro-Copper(II)] | - C11 H12 Cl2 Cu S7 - | - C11 H12 Cl2 Cu S7 - | - C44 H48 Cl8 Cu4 S28 - | 4 | 1 | QB0149 | Dai, Jie; Bian, Guo-qing; Zhou, Min-Yan; Maekawa, Masahiko; Munakata, Megumu | Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-<i>S</i>^5^,<i>S</i>^6^)copper(II) | Acta Crystallographica Section C | 1,999 | 55 | 12 | IUC9900166 | 10.1107/S0108270199098364 | 0.7107 | MoKα | null | 0.05 | null | null | null | 0.1281 | null | null | null | null | null | 1.011 | null | null | has coordinates,has Fobs | Dai, Jie; Bian, Guo-qing; Zhou, Min-Yan; Maekawa, Masahiko; Munakata, Megumu
Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-<i>S</i>^5^,<i>S</i>^6^)copper(II)
Acta Crystallographica Section C
55(12)
(1999)
IUC9900166 | 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/2/00/93/2009339.cif $
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2,009,340 | 9.069 | 0.005 | 19.378 | 0.006 | 16.964 | 0.007 | 90 | null | 105.15 | 0.05 | 90 | null | 2,878 | 2 | 301 | 2 | null | null | null | null | null | null | 7 | C 1 c 1 | C -2yc | 9 | - C29 H30 Cl2 N4 Ni O2 Zn - | - C29 H30 Cl2 N4 Ni O2 Zn - | - C116 H120 Cl8 N16 Ni4 O8 Zn4 - | 4 | 1 | SK1264 | Atakol, Orhan; Ercan, Filiz; Arici, Cengiz; Fuess, Hartmut; Svoboda, Ingrid | {[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2023 | 2026 | 10.1107/S0108270199010707 | 0.71073 | MoKα | null | 0.029 | null | null | 0.076 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Atakol, Orhan; Ercan, Filiz; Arici, Cengiz; Fuess, Hartmut; Svoboda, Ingrid
{[μ-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II)
Acta Crystallographica Section C
55(12)
(1999)
2023-2026 | 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/2/00/93/2009340.cif $
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7,106,419 | 8.27 | 0.003 | 11.652 | 0.005 | 26.49 | 0.008 | 90 | null | 90 | null | 90 | null | 2,552.6 | 1.6 | 123.1 | null | 123 | 1 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | - C29 H31 N O2 P Rh - | - C29 H31 N O2 P Rh - | - C116 H124 N4 O8 P4 Rh4 - | 4 | 1 | Ryo Shintani; Rintaro Narui; Yosuke Tsutsumi; Sayuri Hayashi; Tamio Hayashi | Design and synthesis of new chiral phosphorus-olefin bidentate ligands and their use in the rhodium-catalyzed asymmetric addition of organoboroxines to N-sulfonyl imines | Chem.Commun. | 2,011 | 47 | 6123 | 10.1039/c1cc11823d | 0.71075 | MoKα | null | 0.0594 | null | null | null | 0.0818 | null | null | null | null | null | 1.003 | null | null | has coordinates | Ryo Shintani; Rintaro Narui; Yosuke Tsutsumi; Sayuri Hayashi; Tamio Hayashi
Design and synthesis of new chiral phosphorus-olefin bidentate ligands and their use in the rhodium-catalyzed asymmetric addition of organoboroxines to N-sulfonyl imines
Chem.Commun.
47
(2011)
6123 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106419.cif $
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2,009,341 | 4.7651 | 0.0006 | 9.3404 | 0.0015 | 37.066 | 0.006 | 90 | null | 90 | null | 90 | null | 1,649.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c 21 | P 2c -2b | 29 | Zinc heptanoate | Anhydrous Zinc(II) Heptanoate | - C14 H26 O4 Zn - | - C14 H26 O4 Zn - | - C56 H104 O16 Zn4 - | 4 | 1 | SK1286 | Jerôme Peultier; Michel Francois; Jean Steinmetz | Anhydrous polymeric zinc(II) heptanoate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2064 | 2065 | 10.1107/S0108270199008483 | 1.5418 | CuKα | 0.112 | 0.055 | null | null | null | 0.159 | null | null | null | null | null | 0.908 | null | null | has coordinates | Jerôme Peultier; Michel Francois; Jean Steinmetz
Anhydrous polymeric zinc(II) heptanoate
Acta Crystallographica Section C
55(12)
(1999)
2064-2065 | 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/2/00/93/2009341.cif $
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2,009,342 | 10.336 | 0.004 | 11.65 | 0.004 | 5.846 | 0.003 | 97.45 | 0.04 | 96.11 | 0.04 | 83.5 | 0.03 | 690.5 | 0.5 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-chloro-4-benzoyl-6-phenyl pyrimidine | - C17 H11 Cl N2 O - | - C17 H11 Cl N2 O - | - C34 H22 Cl2 N4 O2 - | 2 | 1 | SK1294 | Mukherjee, Monika; Maiti, Susim; Khan, M. Wahab; Helliwell, Madeleine; Kundu, Nitya G. | 4-Benzoyl-2-chloro-6-phenylpyrimidine | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2186 | 2188 | 10.1107/S0108270199011865 | 0.71071 | MoKα | 0.07 | 0.049 | null | 0.134 | null | 0.123 | null | null | 1.056 | null | null | 1.109 | null | null | has coordinates | Mukherjee, Monika; Maiti, Susim; Khan, M. Wahab; Helliwell, Madeleine; Kundu, Nitya G.
4-Benzoyl-2-chloro-6-phenylpyrimidine
Acta Crystallographica Section C
55(12)
(1999)
2186-2188 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009342.cif $
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2,009,343 | 7.869 | 0.002 | 10.113 | 0.003 | 10.771 | 0.005 | 76.21 | 0.03 | 85.78 | 0.03 | 84.6 | 0.03 | 827.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 | P 1 | 1 | 3α-Hydroxy-5α-androstane-4,17-dione | - C19 H28 O3 - | - C19 H28 O3 - | - C38 H56 O6 - | 2 | 2 | SK1300 | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. | 3α-Hydroxy-5α-androstane-4,17-dione | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2149 | 2151 | 10.1107/S0108270199011877 | 0.71073 | MoKα | 0.096 | 0.039 | null | null | null | 0.113 | null | null | null | null | null | 1.005 | null | null | has coordinates,has Fobs | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
3α-Hydroxy-5α-androstane-4,17-dione
Acta Crystallographica Section C
55(12)
(1999)
2149-2151 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009343.cif $
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2,009,344 | 13.3506 | 0.0003 | 9.4397 | 0.0001 | 13.5106 | 0.0003 | 90 | null | 109.566 | 0.001 | 90 | null | 1,604.36 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Dioxo-bis(8-quinolinolato-N,O)tungsten(VI) | - C18 H12 N2 O4 W - | - C18 H12 N2 O4 W - | - C72 H48 N8 O16 W4 - | 4 | 0.5 | SK1319 | S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhen-Feng Chen; Jing Zhang; Xiang Xue; Ren-Gen Xiong; Xiao-Zeng You | Dioxobis(8-quinolinolato-<i>N</i>,<i>O</i>)tungsten(VI) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2037 | 2039 | 10.1107/S0108270199010719 | 0.71073 | MoKα | 0.04 | 0.035 | null | null | null | 0.089 | null | null | null | null | null | 1.04 | null | null | has coordinates | S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhen-Feng Chen; Jing Zhang; Xiang Xue; Ren-Gen Xiong; Xiao-Zeng You
Dioxobis(8-quinolinolato-<i>N</i>,<i>O</i>)tungsten(VI)
Acta Crystallographica Section C
55(12)
(1999)
2037-2039 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009344.cif $
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2,009,345 | 7.5803 | 0.0008 | 18.4838 | 0.0012 | 5.5653 | 0.0005 | 90 | null | 90 | null | 90 | null | 779.77 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | A m a 2 | A 2 -2a | 40 | Potassiumdicoppervanadiumtetraselenide | Potassiumdicoppervanadiumtetraselenide | - Cu2 K Se4 V - | - Cu2 K Se4 V - | - Cu8 K4 Se16 V4 - | 4 | 0.5 | SK1321 | Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang | KCu~2~VSe~4~ | Acta Crystallographica Section C | 1,999 | 55 | 12 | 1959 | 1961 | 10.1107/S0108270199011427 | 0.71073 | MoKα | 0.029 | 0.02 | null | 0.047 | 0.045 | null | null | null | 1.036 | 1.067 | 1.067 | null | null | null | has coordinates | Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang
KCu~2~VSe~4~
Acta Crystallographica Section C
55(12)
(1999)
1959-1961 | 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/2/00/93/2009345.cif $
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2,009,346 | 16.3 | 0.0008 | 5.455 | 0.001 | 34.976 | 0.002 | 90 | null | 90.667 | 0.004 | 90 | null | 3,109.7 | 0.6 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3,5,5-triphenyl-(4H)-1,2,4-oxadiazoline | - C20 H16 N2 O - | - C20 H16 N2 O - | - C160 H128 N16 O8 - | 8 | 2 | SK1322 | Szczepankiewicz, Wojciech; Suwiński, Jerzy; Słowikowska, Joanna | 3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2156 | 2158 | 10.1107/S0108270199012482 | 1.54178 | CuKα | null | 0.0396 | null | null | null | 0.1509 | null | null | null | null | null | 0.937 | null | null | has coordinates | Szczepankiewicz, Wojciech; Suwiński, Jerzy; Słowikowska, Joanna
3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole
Acta Crystallographica Section C
55(12)
(1999)
2156-2158 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009346.cif $
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7,106,418 | 17.4496 | 0.0006 | 17.7496 | 0.0011 | 17.2174 | 0.0007 | 90 | null | 101.374 | 0.004 | 90 | null | 5,227.9 | 0.4 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H45 Li N2 O Si2 - | - C20 H45 Li N2 O Si2 - | - C160 H360 Li8 N16 O8 Si16 - | 8 | 2 | Sophia A. Solomon; F. Matthias Bickelhaupt; Richard A. Layfield; Mathias Nilsson; Jordi Poater; Miquel Sola | A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory | Chem.Commun. | 2,011 | 47 | 6162 | 10.1039/c1cc11697e | 0.71073 | MoKα | 0.082 | 0.0634 | null | null | 0.1611 | 0.1786 | null | null | null | null | null | 1.026 | null | null | has coordinates,has disorder | Sophia A. Solomon; F. Matthias Bickelhaupt; Richard A. Layfield; Mathias Nilsson; Jordi Poater; Miquel Sola
A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory
Chem.Commun.
47
(2011)
6162 | 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/7/10/64/7106418.cif $
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2,009,347 | 8.574 | 0.001 | 8.7391 | 0.001 | 9.9027 | 0.0011 | 102.879 | 0.013 | 97.367 | 0.014 | 100.535 | 0.014 | 700 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C26 H34 Br4 Ru2 - | - C26 H34 Br4 Ru2 - | - C26 H34 Br4 Ru2 - | 1 | 0.5 | SK1323 | Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink | Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2030 | 2032 | 10.1107/S0108270199010410 | 0.71073 | MoKα | 0.0615 | 0.0566 | null | null | null | 0.1389 | null | null | null | null | null | 1.029 | null | null | has coordinates | Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink
Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate
Acta Crystallographica Section C
55(12)
(1999)
2030-2032 | 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/2/00/93/2009347.cif $
#-------------------------------------------------------------------... | |||||||||||
2,009,348 | 8.755 | 0.001 | 9.09 | 0.001 | 10.42 | 0.001 | 103.71 | 0.01 | 96.18 | 0.01 | 100.12 | 0.01 | 783.37 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C27 H36 I4 Ru2 - | - C27 H35 I4 Ru2 - | - C27 H35 I4 Ru2 - | 1 | 0.5 | SK1323 | Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink | Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2030 | 2032 | 10.1107/S0108270199010410 | 0.71073 | MoKα | 0.0426 | 0.0361 | null | null | null | 0.1231 | null | null | null | null | null | 1.294 | null | null | has coordinates | Antonia Neels; Helen Stoeckli-Evans; Laurent Plasseraud; Eva Garcia Fidalgo; Georg Süss-Fink
Di-μ-bromo-bis[bromo(η^6^-<i>para</i>-cymene)ruthenium(II)] benzene solvate and di-μ-iodo-bis[(η^6^-<i>para</i>-cymene)iodoruthenium(II)] toluene solvate
Acta Crystallographica Section C
55(12)
(1999)
2030-2032 | 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/2/00/93/2009348.cif $
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2,009,349 | 10.1188 | 0.0004 | 11.5242 | 0.0004 | 15.7404 | 0.0005 | 92.957 | 0.002 | 97.931 | 0.002 | 105.392 | 0.002 | 1,745.25 | 0.11 | 100 | 1 | 100 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4,4'-Biphenol–4,4'-bipyridyl (1/1) | - C22 H18 N2 O2 - | - C22 H18 N2 O2 - | - C88 H72 N8 O8 - | 4 | 2 | SK1325 | Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J. | Two independent <i>C</i>^2^~2~(20) chains in the hydrogen-bonded structure of 4,4'-biphenol–4,4'-bipyridyl (1/1) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2133 | 2136 | 10.1107/S0108270199010434 | 0.71073 | MoKα | 0.083 | 0.044 | null | null | null | 0.115 | null | null | null | null | null | 0.953 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.
Two independent <i>C</i>^2^~2~(20) chains in the hydrogen-bonded structure of 4,4'-biphenol–4,4'-bipyridyl (1/1)
Acta Crystallographica Section C
55(12)
(1999)
2133-2136 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009349.cif $
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7,106,417 | 32.3426 | 0.0008 | 32.3426 | 0.0008 | 10.6928 | 0.0004 | 90 | null | 90 | null | 120 | null | 9,686.6 | 0.5 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 63/m | -P 6c | 176 | - As12 F27 O99.69 V36 - | - As12 F27 O99.69 V36 - | - As24 F54 O199.38 V72 - | 2 | 0.166667 | Eleni Kotsapa; Mark T. Weller | Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes | Chem.Commun. | 2,011 | 47 | 21 | 6132 | 6134 | 10.1039/c1cc11513h | 0.71073 | MoKα | 0.1736 | 0.1006 | null | null | 0.2663 | 0.295 | null | null | null | null | null | 0.945 | null | null | has coordinates,has disorder | Eleni Kotsapa; Mark T. Weller
Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes
Chem.Commun.
47(21)
(2011)
6132-6134 | 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/7/10/64/7106417.cif $
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2,009,350 | 24.573 | 0.003 | 6.477 | 0.001 | 17.435 | 0.003 | 90 | null | 128.72 | 0.01 | 90 | null | 2,165 | 0.6 | 125 | null | 125 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1-ethynyl-cyclohexylammonium acetate salt | - C10 H17 N O2 - | - C10 H17 N O2 - | - C80 H136 N8 O16 - | 8 | 1 | SK1330 | Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan | 1-Ethynylcyclohexylammonium acetate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2131 | 2132 | 10.1107/S0108270199012469 | 0.71073 | MoKα | 0.0605 | 0.0485 | null | null | null | 0.1236 | null | null | null | null | null | 1.095 | null | null | has coordinates | Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan
1-Ethynylcyclohexylammonium acetate
Acta Crystallographica Section C
55(12)
(1999)
2131-2132 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009350.cif $
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2,009,351 | 27.9391 | 0.0008 | 27.9391 | 0.0008 | 12.7565 | 0.0004 | 90 | null | 90 | null | 90 | null | 9,957.6 | 0.5 | 100 | 1 | 100 | 1 | null | null | null | null | 4 | P -4 | P -4 | 81 | 2,2'-Biphenol—diazabicyclo[2.2.2]octane (2/1) | - C30 H32 N2 O4 - | - C30 H32 N2 O4 - | - C480 H512 N32 O64 - | 16 | 4 | SK1331 | Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J. | 2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2136 | 2140 | 10.1107/S0108270199011440 | 0.71073 | MoKα | 0.1279 | 0.0572 | null | null | null | 0.1619 | null | null | null | null | null | 1.009 | null | null | has coordinates,has disorder | Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.
2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C
55(12)
(1999)
2136-2140 | 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/2/00/93/2009351.cif $
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2,009,352 | 9.602 | 0.005 | 7.636 | 0.006 | 16.661 | 0.005 | 90 | null | 92.16 | 0.03 | 90 | null | 1,220.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | L-Argininium tris(acetato-O,O')dioxouranium(III)–acetic acid–water (1/1/1) | - C14 H30 N4 O13 U - | - C14 H30 N4 O13 U - | - C28 H60 N8 O26 U2 - | 2 | 1 | SK1332 | Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J. | <small>L</small>-Argininium tris(acetato-<i>O</i>,<i>O</i>')dioxouranium(III)–acetic acid–water (1/1/1) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2039 | 2041 | 10.1107/S0108270199011907 | 0.71073 | MoKα | 0.027 | 0.017 | null | null | null | 0.043 | null | null | null | null | null | 1.047 | null | null | has coordinates,has disorder,has Fobs | Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.
<small>L</small>-Argininium tris(acetato-<i>O</i>,<i>O</i>')dioxouranium(III)–acetic acid–water (1/1/1)
Acta Crystallographica Section C
55(12)
(1999)
2039-2041 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$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/2/00/93/2009352.cif $
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7,106,416 | 16.8763 | 0.0006 | 14.1659 | 0.0005 | 10.7198 | 0.0004 | 90 | null | 93.894 | 0.002 | 90 | null | 2,556.84 | 0.16 | 120 | 2 | 120 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H26 As2 F7 N3 O15 V4 - | - C6 H18 As2 F7 N3 O15 V4 - | - C24 H72 As8 F28 N12 O60 V16 - | 4 | 1 | Eleni Kotsapa; Mark T. Weller | Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes | Chem.Commun. | 2,011 | 47 | 21 | 6132 | 6134 | 10.1039/c1cc11513h | 0.71073 | MoKα | 0.1011 | 0.0676 | null | null | 0.1606 | 0.1845 | null | null | null | null | null | 1.088 | null | null | has coordinates | Eleni Kotsapa; Mark T. Weller
Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes
Chem.Commun.
47(21)
(2011)
6132-6134 | 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/7/10/64/7106416.cif $
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2,009,353 | 8.5705 | 0.0017 | 13.657 | 0.003 | 14.895 | 0.003 | 84.26 | 0.03 | 81.95 | 0.03 | 87.11 | 0.03 | 1,716.4 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | Alprozolam dihydrate | 8-chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate | - C17 H17 Cl N4 O2 - | - C17 H14.75 Cl N4 O2 - | - C68 H59 Cl4 N16 O8 - | 4 | 4 | SX1085 | Daniel R. Vega; Ricardo Baggio; Silvia Russi | 8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2094 | 2096 | 10.1107/S0108270199010446 | 0.71073 | MoKα | 0.074 | 0.043 | null | null | null | 0.133 | null | null | null | null | null | 1.001 | null | null | has coordinates | Daniel R. Vega; Ricardo Baggio; Silvia Russi
8-Chloro-1-methyl-6-phenyl-4<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,4]benzodiazepine dihydrate
Acta Crystallographica Section C
55(12)
(1999)
2094-2096 | 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/2/00/93/2009353.cif $
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2,009,354 | 11.2528 | 0.0016 | 25.346 | 0.002 | 13.0637 | 0.0015 | 90 | null | 106.117 | 0.009 | 90 | null | 3,579.5 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | tris(1,10-phenanthroline)nickel(II) nitrate thiourea solvate | - C37 H30 N10 Ni O7 S - | - C37 H30 N10 Ni O7 S - | - C148 H120 N40 Ni4 O28 S4 - | 4 | 0.5 | SX1088 | Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A. | Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate | Acta Crystallographica Section C | 1,999 | 55 | 12 | 1991 | 1993 | 10.1107/S0108270199011312 | 0.71069 | MoKα | 0.0504 | 0.0395 | null | null | null | 0.1162 | null | null | null | null | null | 1.028 | null | null | has coordinates | Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.
Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate
Acta Crystallographica Section C
55(12)
(1999)
1991-1993 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/93/2009354.cif $
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2,009,355 | 8.7543 | 0.0011 | 9.9307 | 0.0015 | 7.314 | 0.0016 | 108.537 | 0.014 | 106.347 | 0.014 | 85.225 | 0.012 | 578.48 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | catena-Di-μ-chloro(bis(2-pyridyl) ketone)copper(II) | - C11 H8 Cl2 Cu N2 O - | - C11 H8 Cl2 Cu N2 O - | - C22 H16 Cl4 Cu2 N4 O2 - | 2 | 1 | SX1092 | Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; Suescun, Leopoldo; Kremer, Eduardo; González, Ricardo | <i>catena</i>-Poly[[[bis(2-pyridyl) ketone-<i>N</i>,<i>N</i>']copper(II)]-di-μ-chloro] | Acta Crystallographica Section C | 1,999 | 55 | 12 | 1989 | 1991 | 10.1107/S0108270199011750 | 0.71069 | MoKα | 0.038 | 0.032 | null | null | null | 0.096 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Mariezcurrena, Raúl A.; Mombrú, Alvaro W.; Suescun, Leopoldo; Kremer, Eduardo; González, Ricardo
<i>catena</i>-Poly[[[bis(2-pyridyl) ketone-<i>N</i>,<i>N</i>']copper(II)]-di-μ-chloro]
Acta Crystallographica Section C
55(12)
(1999)
1989-1991 | 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/2/00/93/2009355.cif $
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7,106,415 | 8.5594 | 0.0002 | 10.8001 | 0.0002 | 12.0616 | 0.0002 | 65.5917 | 0.0014 | 79.8934 | 0.0013 | 72.0654 | 0.0014 | 964.51 | 0.04 | 120 | 2 | 120 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C6 H21 As2 F3 N3 O13 V3 - | - C6 H21 As2 F3 N3 O13 V3 - | - C12 H42 As4 F6 N6 O26 V6 - | 2 | 1 | Eleni Kotsapa; Mark T. Weller | Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes | Chem.Commun. | 2,011 | 47 | 21 | 6132 | 6134 | 10.1039/c1cc11513h | 0.71073 | MoKα | 0.0371 | 0.0291 | null | null | 0.0581 | 0.0621 | null | null | null | null | null | 1.109 | null | null | has coordinates | Eleni Kotsapa; Mark T. Weller
Vanadium fluoroarsenates-folding sheets into highly corrugated layers and crystalline arrays of large inorganic tubes
Chem.Commun.
47(21)
(2011)
6132-6134 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:05:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180168 $
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2,009,356 | 9.719 | 0.003 | 11.682 | 0.003 | 8.7504 | 0.0013 | 92.932 | 0.014 | 90.434 | 0.017 | 85.99 | 0.02 | 989.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | cis-dichloro(1,10-phenanthroline)tiourea-acuo-cobalt(II):tiourea | - C14 H18 Cl2 Co N6 O S2 - | - C14 H18 Cl2 Co N6 O S2 - | - C28 H36 Cl4 Co2 N12 O2 S4 - | 2 | 1 | SX1094 | Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W. | [Co(phen)(thiourea)(H~2~ O)Cl~2~]^.^thiourea (phen is 1,10-phenanthroline) | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2065 | 2068 | 10.1107/S0108270199011993 | 0.7107 | MoKα | 0.0642 | 0.0409 | null | null | null | 0.1223 | null | null | null | null | null | 1.024 | null | null | has coordinates | Suescun, Leopoldo; Mariezcurrena, Raúl A.; Mombrú, Alvaro W.
[Co(phen)(thiourea)(H~2~ O)Cl~2~]^.^thiourea (phen is 1,10-phenanthroline)
Acta Crystallographica Section C
55(12)
(1999)
2065-2068 | 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/2/00/93/2009356.cif $
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2,009,357 | 43.749 | 0.01 | 20.984 | 0.002 | 4.598 | 0.001 | 90 | null | 90 | null | 90 | null | 4,221.1 | 1.4 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | F d d 2 | F 2 -2d | 43 | 2-pyridylcarboxaldehyde isonicotinoyl hydrazone | - C12 H10 N4 O - | - C12 H10 N4 O - | - C192 H160 N64 O16 - | 16 | 1 | TA1264 | Richardson, Des R.; Becker, Erika; Bernhardt, Paul V. | The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2102 | 2105 | 10.1107/S0108270199011531 | 0.71073 | MoKα | 0.108 | 0.05 | null | null | null | 0.122 | null | null | null | null | null | 1.034 | null | null | has coordinates | Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.
The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone
Acta Crystallographica Section C
55(12)
(1999)
2102-2105 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,009,358 | 7.1468 | 0.0006 | 11.994 | 0.007 | 29.493 | 0.005 | 90 | null | 90 | null | 90 | null | 2,528.1 | 1.6 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 2-pyridinecarboxaldehyde benzoyl hydrazone hydrate | - C13 H13 N3 O2 - | - C13 H13 N3 O2 - | - C104 H104 N24 O16 - | 8 | 1 | TA1264 | Richardson, Des R.; Becker, Erika; Bernhardt, Paul V. | The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2102 | 2105 | 10.1107/S0108270199011531 | 0.71073 | MoKα | 0.058 | 0.034 | null | null | null | 0.127 | null | null | null | null | null | 1.059 | null | null | has coordinates | Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.
The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone
Acta Crystallographica Section C
55(12)
(1999)
2102-2105 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,414 | 35.5856 | 0.0013 | 9.6028 | 0.0003 | 35.8812 | 0.0009 | 90 | null | 99.056 | 0.003 | 90 | null | 12,108.5 | 0.7 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C52 H72.6 La0.4 N4 O18.8 - | - C52 H59 La0.3971 N4 O18.7942 - | - C416 H472 La3.1768 N32 O150.354 - | 8 | 1 | Ching Yong Goh; Thomas Becker; David H. Brown; Brian W. Skelton; Franca Jones; Mauro Mocerino; Mark I. Ogden | Self-inclusion of proline-functionalised calix[4]arene leads to hydrogelation | Chem.Commun. | 2,011 | 47 | 6057 | 10.1039/c1cc11286d | 0.71073 | MoKα | 0.1864 | 0.112 | null | null | 0.3427 | 0.3743 | null | null | null | null | null | 1.101 | null | null | has coordinates | Ching Yong Goh; Thomas Becker; David H. Brown; Brian W. Skelton; Franca Jones; Mauro Mocerino; Mark I. Ogden
Self-inclusion of proline-functionalised calix[4]arene leads to hydrogelation
Chem.Commun.
47
(2011)
6057 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,009,359 | 14.188 | 0.003 | 5.285 | 0.0003 | 26.954 | 0.006 | 90 | null | 93.55 | 0.01 | 90 | null | 2,017.2 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-furfuryl isonicotinoyl hydrazone | - C11 H9 N3 O2 - | - C11 H9 N3 O2 - | - C88 H72 N24 O16 - | 8 | 2 | TA1264 | Richardson, Des R.; Becker, Erika; Bernhardt, Paul V. | The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone | Acta Crystallographica Section C | 1,999 | 55 | 12 | 2102 | 2105 | 10.1107/S0108270199011531 | 0.71073 | MoKα | 0.18 | 0.047 | null | null | null | 0.143 | null | null | null | null | null | 0.971 | null | null | has coordinates | Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.
The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone
Acta Crystallographica Section C
55(12)
(1999)
2102-2105 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,009,360 | 12.242 | 0.003 | 5.869 | 0.002 | 14.812 | 0.002 | 90 | null | 114.38 | 0.01 | 90 | null | 969.3 | 0.4 | 223 | 1 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C10 H11 N O3 - | - C10 H11 N O3 - | - C40 H44 N4 O12 - | 4 | 1 | AB1067 | Maurin, J.K.; Paul, I.C.; Curtin, D.Y. | Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K | Acta Crystallographica Section C | 1,994 | 50 | 1 | 78 | 81 | 10.1107/S0108270193005967 | 0.71073 | MoKα | null | 0.04 | null | null | 0.041 | null | null | null | null | 1.471 | 1.471 | null | null | null | has coordinates | Maurin, J.K.; Paul, I.C.; Curtin, D.Y.
Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K
Acta Crystallographica Section C
50(1)
(1994)
78-81 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,009,361 | 13.7 | 0.006 | 9.111 | 0.001 | 16.779 | 0.005 | 90 | null | 92.95 | null | 90 | null | 2,091.6 | 1.1 | 223 | 1 | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C11 H13 N O3 - | - C11 H13 N O3 - | - C88 H104 N8 O24 - | 8 | 1 | AB1067 | Maurin, J.K.; Paul, I.C.; Curtin, D.Y. | Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K | Acta Crystallographica Section C | 1,994 | 50 | 1 | 78 | 81 | 10.1107/S0108270193005967 | 0.71073 | MoKα | null | 0.041 | null | null | 0.042 | null | null | null | null | 1.225 | 1.225 | null | null | null | has coordinates | Maurin, J.K.; Paul, I.C.; Curtin, D.Y.
Structures of 4-hydroxyimino-4-phenylbutanoic acid, C~10~H~11~NO~3~ (I), and 5-hydroxyimino-5-phenylpentanoic acid, C~11~H~13~NO~3~ (II), at 223 K
Acta Crystallographica Section C
50(1)
(1994)
78-81 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,413 | 12.2193 | 0.0002 | 12.3857 | 0.0002 | 42.4545 | 0.0008 | 90 | null | 90.692 | 0.001 | 90 | null | 6,424.79 | 0.19 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C27 H35 Cl2 N9 O10 Zn - | - C27 H35 Cl2 N9 O10 Zn - | - C216 H280 Cl16 N72 O80 Zn8 - | 8 | 1 | Jobe, Kajally; Brennan, Caroline H.; Motevalli, Majid; Goldup, Stephen M.; Watkinson, Michael | Modular 'click' sensors for zinc and their application in vivo | Chemical Communications (Cambridge, United Kingdom) | 2,011 | 47 | 21 | 6036 | 6038 | 10.1039/c1cc11213a | 1.54178 | CuKα | 0.0643 | 0.0637 | null | null | 0.142 | 0.1422 | null | null | null | null | null | 1.322 | null | null | has coordinates,has disorder | Jobe, Kajally; Brennan, Caroline H.; Motevalli, Majid; Goldup, Stephen M.; Watkinson, Michael
Modular 'click' sensors for zinc and their application in vivo
Chemical Communications (Cambridge, United Kingdom)
47(21)
(2011)
6036-6038 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
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2,009,362 | 12.092 | 0.002 | 9.393 | 0.002 | 12.507 | 0.002 | 90 | null | 105.423 | 0.009 | 90 | null | 1,369.4 | 0.4 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C24 H32 Cl2 N2 O6 Sn - | - C24 H32 Cl2 N2 O6 Sn - | - C48 H64 Cl4 N4 O12 Sn2 - | 2 | 0.5 | AB1077 | Hazell, A.; Goh, N.K.; Khoo, L.E. | Molecular adduct of dimethyltin dichloride with methyl <i>N</i>-(2-hydroxybenzylidene)alaninate (1:2), [SnCl~2~(C~11~H~13~NO~3~)~2~(CH~3~)~2~] | Acta Crystallographica Section C | 1,994 | 50 | 1 | 54 | 56 | 10.1107/S0108270193005694 | 0.71073 | MoKα | null | 0.042 | null | null | 0.052 | null | null | null | null | 1.517 | 1.517 | null | null | null | has coordinates | Hazell, A.; Goh, N.K.; Khoo, L.E.
Molecular adduct of dimethyltin dichloride with methyl <i>N</i>-(2-hydroxybenzylidene)alaninate (1:2), [SnCl~2~(C~11~H~13~NO~3~)~2~(CH~3~)~2~]
Acta Crystallographica Section C
50(1)
(1994)
54-56 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,009,363 | 12.8909 | 0.0007 | 11.1618 | 0.0006 | 6.811 | 0.0003 | 90 | null | 90 | null | 90 | null | 980.01 | 0.09 | 295 | null | 295 | null | null | null | null | null | 5 | P n a m | -P 2c 2n | 62 | 3-methoxyimino-quinuclidinium chloride | - C8 H15 Cl N2 O - | - C6 H13.5 Cl0.5 N O0.5 - | - C24 H54 Cl2 N4 O2 - | 4 | 0.5 | AB1095 | Schouten, A.; Kanters, J.A.; Kroon, J.; Plate, R.; Kelder, J. | Structure of Org 32763: 3-methoxyiminoquinuclidinium chloride | Acta Crystallographica Section C | 1,994 | 50 | 1 | 128 | 129 | 10.1107/S0108270193007504 | 0.71073 | MoKα | null | 0.0386 | null | null | 0.0395 | null | null | null | null | 0.43 | 0.43 | null | null | null | has coordinates | Schouten, A.; Kanters, J.A.; Kroon, J.; Plate, R.; Kelder, J.
Structure of Org 32763: 3-methoxyiminoquinuclidinium chloride
Acta Crystallographica Section C
50(1)
(1994)
128-129 | 209,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-07 17:33:59 +0300 (Tue, 07 Aug 2018) $
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2,009,364 | 5.3311 | 0.0003 | 5.3311 | 0.0003 | 4.4332 | 0.0003 | 90 | null | 90 | null | 120 | null | 109.114 | 0.011 | 300 | null | null | null | null | null | null | null | 4 | P 6 m m | P 6 -2 | 183 | - Cr0.2 Fe0.6 Ni0.2 Sn - | - Fe Sn - | - Fe3 Sn3 - | 3 | 0.25 | AL1040 | Larsson, A.-K.; Lidin, S. | The CoSn type structure of (Fe~0.6~,Cr~0.2~,Ni~0.2~)Sn | Acta Crystallographica Section C | 1,994 | 50 | 1 | 13 | 15 | 10.1107/S0108270193005438 | 0.71069 | MoKα | null | 0.0243 | null | null | 0.0299 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Larsson, A.-K.; Lidin, S.
The CoSn type structure of (Fe~0.6~,Cr~0.2~,Ni~0.2~)Sn
Acta Crystallographica Section C
50(1)
(1994)
13-15 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,009,365 | 23.204 | 0.003 | 11.22 | 0.002 | 16.139 | 0.003 | 90 | null | 110.95 | 0.01 | 90 | null | 3,924 | 1.2 | 297 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C23 H21 N O4 - | - C23 H21 N O4 - | - C184 H168 N8 O32 - | 8 | 1 | AL1052 | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. | Structure of an oxepino[2,3-<i>b</i>]indolizine derivative | Acta Crystallographica Section C | 1,994 | 50 | 1 | 139 | 141 | 10.1107/S0108270193006778 | 0.71069 | MoKα | null | 0.048 | null | null | 0.054 | null | null | null | null | 1.77 | 1.77 | null | null | null | has coordinates | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structure of an oxepino[2,3-<i>b</i>]indolizine derivative
Acta Crystallographica Section C
50(1)
(1994)
139-141 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,009,366 | 9.307 | 0.002 | 10.561 | 0.004 | 13.241 | 0.002 | 90 | null | 90 | null | 90 | null | 1,301.5 | 0.6 | 210 | null | null | null | null | null | null | null | 6 | P n n n :2 | -P 2ab 2bc | 48 | - C16 H24 Cl4 N8 O3 Re2 - | - C16 H24 Cl4 N8 O3 Re2 - | - C32 H48 Cl8 N16 O6 Re4 - | 2 | 0.25 | CD1046 | Pearson, C.; Beauchamp, A.L. | Structure of μ-oxo-bis[dichlorobis(1-methylimidazole-<i>N</i>^3^)oxorhenium(V)], [{ReOCl~2~(C~4~H~6~N~2~)~2~}~2~O] | Acta Crystallographica Section C | 1,994 | 50 | 1 | 42 | 44 | 10.1107/S0108270193006158 | 1.54178 | CuKα | null | 0.0253 | null | null | 0.0301 | null | null | null | null | 1.06 | 1.06 | null | null | null | has coordinates | Pearson, C.; Beauchamp, A.L.
Structure of μ-oxo-bis[dichlorobis(1-methylimidazole-<i>N</i>^3^)oxorhenium(V)], [{ReOCl~2~(C~4~H~6~N~2~)~2~}~2~O]
Acta Crystallographica Section C
50(1)
(1994)
42-44 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,009,367 | 17.08 | 0.002 | 13.467 | 0.003 | 15.991 | 0.004 | 90 | 0.02 | 91.68 | 0.01 | 90.02 | 0.01 | 3,676.6 | 1.3 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C44 H40 Br6 Hg2 O S32 - | - C44 Br6 Hg2 O S32 - | - C88 Br12 Hg4 O2 S64 - | 2 | 0.5 | CR1027 | Thiel, James; Bu, Xianhui; Coppens, Philip | Structure of (BEDT-TTF)~4~[Hg~2~Br~6~].THF | Acta Crystallographica Section C | 1,994 | 50 | 1 | 23 | 25 | 10.1107/S0108270193006912 | 0.71073 | MoKα | null | 0.049 | null | null | 0.053 | null | null | null | null | 2.87 | 2.87 | null | null | null | has coordinates | Thiel, James; Bu, Xianhui; Coppens, Philip
Structure of (BEDT-TTF)~4~[Hg~2~Br~6~].THF
Acta Crystallographica Section C
50(1)
(1994)
23-25 | 192,027 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $
#$Revision: 192027 $
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2,009,368 | 10.295 | 0.003 | 10.791 | 0.003 | 11.827 | 0.004 | 77.74 | 0.03 | 66.49 | 0.02 | 75.63 | 0.02 | 1,157.6 | 0.6 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C48 H42 Cl2 O4 Sn4 - | - C48 H42 Cl2 O4 Sn4 - | - C48 H42 Cl2 O4 Sn4 - | 1 | 0.5 | CR1053 | Kresinski, R.A.; Staples, R.J.; Fackler, J.P.Jr | Structure of dichlorobis(μ-hydroxo)bis(μ~3~-oxo)octaphenyltetratin(IV), [Sn~4~Cl~2~(O)~2~(OH)~2~(C~6~H~5~)~8~] | Acta Crystallographica Section C | 1,994 | 50 | 1 | 40 | 41 | 10.1107/S0108270193006018 | 0.71073 | MoKα | null | 0.0237 | null | null | 0.0312 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Kresinski, R.A.; Staples, R.J.; Fackler, J.P.Jr
Structure of dichlorobis(μ-hydroxo)bis(μ~3~-oxo)octaphenyltetratin(IV), [Sn~4~Cl~2~(O)~2~(OH)~2~(C~6~H~5~)~8~]
Acta Crystallographica Section C
50(1)
(1994)
40-41 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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4,321,856 | 13.966 | 0.002 | 13.9663 | null | 33.689 | 0.003 | 90 | null | 90 | null | 90 | null | 6,571.2 | 1.1 | 293.2 | null | 293.2 | null | null | null | null | null | 6 | I 41/a :2 | -I 4ad | 88 | - C12 H15 Cl Cu N4 O5 - | - C12 H13 Cl Cu N4 O3 - | - C192 H208 Cl16 Cu16 N64 O48 - | 16 | 1 | Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues | pH-Dependent Monomer \λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl) | Inorganic Chemistry | 1,999 | 38 | 1165 | 1173 | 10.1021/ic981158b | 0.7107 | MoKα | 0.0756 | 0.0756 | null | null | 0.0855 | 0.0855 | null | null | null | null | null | 1.902 | null | null | has coordinates | Naohide Matsumoto; Yuri Motoda; Toshihiro Matsuo; Toshio Nakashima; Nazzareno Re; Francoise Dahan; Jean-Pierre Tuchagues
pH-Dependent Monomer λeftarrow→Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl)
Inorganic Chemistry
38
(1999)
1165-1173 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,369 | 10.194 | 0.002 | 10.224 | 0.002 | 11.985 | 0.002 | 95.32 | 0.02 | 95.93 | 0.01 | 97.03 | 0.01 | 1,226 | 0.4 | 298 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C20 H18 O2 - | - C20 H18 O2 - | - C60 H54 O6 - | 3 | 1.5 | CR1054 | Lord, M.D.; Winter, R.E.K.; Rath, N.P. | <i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~ | Acta Crystallographica Section C | 1,994 | 50 | 1 | 116 | 120 | 10.1107/S010827019300602X | 0.71069 | MoKα | null | 0.0677 | null | null | 0.0654 | null | null | null | null | 1.26 | 1.26 | null | null | null | has coordinates | Lord, M.D.; Winter, R.E.K.; Rath, N.P.
<i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~
Acta Crystallographica Section C
50(1)
(1994)
116-120 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,370 | 8.548 | 0.007 | 12.546 | 0.008 | 15.809 | 0.01 | 90 | null | 103.54 | 0.02 | 90 | null | 1,648 | 2 | 298 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H18 O2 - | - C20 H18 O2 - | - C80 H72 O8 - | 4 | 1 | CR1054 | Lord, M.D.; Winter, R.E.K.; Rath, N.P. | <i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~ | Acta Crystallographica Section C | 1,994 | 50 | 1 | 116 | 120 | 10.1107/S010827019300602X | 0.71069 | MoKα | null | 0.069 | null | null | 0.0863 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Lord, M.D.; Winter, R.E.K.; Rath, N.P.
<i>meso</i>- and <i>rac</i>-2,7-diphenyl-3,5-octadiyne-2,7-diol, C~20~H~18~O~2~
Acta Crystallographica Section C
50(1)
(1994)
116-120 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,371 | 11.552 | 0.002 | 22.165 | 0.001 | 20.89 | 0.002 | 90 | null | 90 | null | 90 | null | 5,348.9 | 1.1 | 298 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C22 H39 N O8 - | - C22 H39 N O8 - | - C176 H312 N8 O64 - | 8 | 1 | CR1056 | Newkome, G.R.; Behera, R.K.; Baker, G.R.; Fronczek, F.R. | Di-<i>tert</i>-butyl 4-[2-(<i>tert</i>-butoxycarbonyl)ethyl]-4-nitroheptanedioate, C~22~H~39~NO~8~ | Acta Crystallographica Section C | 1,994 | 50 | 1 | 120 | 122 | 10.1107/S0108270193006006 | 1.54184 | CuKα | null | 0.069 | null | null | 0.09 | null | null | null | null | 4.092 | 4.092 | null | null | null | has coordinates | Newkome, G.R.; Behera, R.K.; Baker, G.R.; Fronczek, F.R.
Di-<i>tert</i>-butyl 4-[2-(<i>tert</i>-butoxycarbonyl)ethyl]-4-nitroheptanedioate, C~22~H~39~NO~8~
Acta Crystallographica Section C
50(1)
(1994)
120-122 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,372 | 8.211 | 0.002 | 5.869 | 0.002 | 25.291 | 0.005 | 90 | null | 99.18 | null | 90 | null | 1,203.2 | 0.6 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C15 H11 Cl O - | - C15 H11 Cl O - | - C60 H44 Cl4 O4 - | 4 | 1 | CR1057 | Li, Z.; Su, G. | Structure of 4-chlorochalcone | Acta Crystallographica Section C | 1,994 | 50 | 1 | 126 | 127 | 10.1107/S0108270193005992 | 0.71069 | MoKα | null | 0.045 | null | null | 0.054 | null | null | null | null | 1.36 | 1.36 | null | null | null | has coordinates | Li, Z.; Su, G.
Structure of 4-chlorochalcone
Acta Crystallographica Section C
50(1)
(1994)
126-127 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,373 | 7.905 | 0.002 | 24.11 | 0.011 | 7.929 | 0.002 | 90 | null | 96.52 | 0.02 | 90 | null | 1,501.4 | 0.9 | 298 | null | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C23 H30 Cl6 N O3 Sb - | - C23 H30 Cl6 N O3 Sb - | - C46 H60 Cl12 N2 O6 Sb2 - | 2 | 1 | CR1060 | Singh, P.; Comins, D.L.; Joseph, S.P. | 4-Methoxy-1-[(1<i>R</i>,4<i>S</i>,5<i>R</i>)-8-phenylmenthoxycarbonyl]pyridinium hexachloroantimonate, C~23~H~30~NO~3~^+^.SbCl~6~^{-^} | Acta Crystallographica Section C | 1,994 | 50 | 1 | 25 | 27 | 10.1107/S0108270193006031 | 0.71073 | MoKα | null | 0.047 | null | null | 0.056 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Singh, P.; Comins, D.L.; Joseph, S.P.
4-Methoxy-1-[(1<i>R</i>,4<i>S</i>,5<i>R</i>)-8-phenylmenthoxycarbonyl]pyridinium hexachloroantimonate, C~23~H~30~NO~3~^+^.SbCl~6~^{-^}
Acta Crystallographica Section C
50(1)
(1994)
25-27 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,374 | 12.281 | 0.001 | 17.844 | 0.001 | 8.076 | 0.001 | 90 | null | 90 | null | 90 | null | 1,769.8 | 0.3 | 295 | 1 | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 1β-tert-butoxy-4β-chloro-7aβ-methyl-9-thiomethoxy-1,2,3,4,5,6,7,7a- octahydro-3a,5-ethano-3aH-inden-8-one | - C17 H27 Cl O2 S - | - C17 H27 Cl O2 S - | - C68 H108 Cl4 O8 S4 - | 4 | 1 | CR1062 | Brock, Carolyn Pratt; Richardson, S. K.; Sabol, M. R.; Watt, David S.; Syed, Ashfaquzzaman | An octahydro-3a,6-methanoazulen-5-one resulting from an intramolecular Friedel–Crafts acylation | Acta Crystallographica Section C | 1,994 | 50 | 1 | 106 | 108 | 10.1107/S0108270193006675 | 1.5418 | CuKα | null | 0.042 | null | null | 0.057 | null | null | null | null | 3.33 | 3.33 | null | null | null | has coordinates | Brock, Carolyn Pratt; Richardson, S. K.; Sabol, M. R.; Watt, David S.; Syed, Ashfaquzzaman
An octahydro-3a,6-methanoazulen-5-one resulting from an intramolecular Friedel–Crafts acylation
Acta Crystallographica Section C
50(1)
(1994)
106-108 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,855 | 10.224 | 0.004 | 32.732 | 0.027 | 24.31 | 0.009 | 90 | null | 97.69 | 0.03 | 90 | null | 8,062 | 8 | 138 | null | 138 | null | null | null | null | null | 8 | C 1 2/c 1 | -C 2yc | 15 | - C178 H100 Cl2 F60 Ga4 Mn2 O2 P8 - | - C178 H96 Cl2 F60 Ga4 Mn2 O2 P8 - | - C356 H192 Cl4 F120 Ga8 Mn4 O4 P16 - | 2 | 0.25 | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas | Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands | Inorganic Chemistry | 1,999 | 38 | 1069 | 1084 | 10.1021/ic981263l | 0.71073 | MoKα | 0.1338 | 0.0798 | null | 0.22 | 0.1884 | null | null | null | 1.039 | 1.143 | 1.143 | null | null | null | has coordinates | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas
Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands
Inorganic Chemistry
38
(1999)
1069-1084 | 179,321 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,375 | 9.881 | 0.005 | 13.393 | 0.006 | 14.396 | 0.005 | 90 | null | 90.87 | 0.03 | 90 | null | 1,904.9 | 1.4 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C18 H15 Au Cl3 P - | - C18 H15 Au Cl3 P - | - C72 H60 Au4 Cl12 P4 - | 4 | 1 | CR1064 | Staples, R.J.; Elduque, A.; Grant, T.; Fackler, J.P. Jr | Structure of trichloro(triphenylphosphine)gold(III), [AuCl~3~{P(C~6~H~5~)~3~}] | Acta Crystallographica Section C | 1,994 | 50 | 1 | 39 | 40 | 10.1107/S0108270193006043 | 0.71073 | MoKα | null | 0.029 | null | null | 0.028 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Staples, R.J.; Elduque, A.; Grant, T.; Fackler, J.P. Jr
Structure of trichloro(triphenylphosphine)gold(III), [AuCl~3~{P(C~6~H~5~)~3~}]
Acta Crystallographica Section C
50(1)
(1994)
39-40 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,009,376 | 11.546 | 0.006 | 9.36 | 0.002 | 4.922 | 0.003 | 90 | null | 101.5 | 0.2 | 90 | null | 521.2 | 0.6 | 295 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C11 H13 N O4 - | - C11 H13 N O4 - | - C22 H26 N2 O8 - | 2 | 1 | DU1028 | Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F. | Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one | Acta Crystallographica Section C | 1,994 | 50 | 1 | 97 | 100 | 10.1107/S010827019300589X | 0.71073 | MoKα | null | 0.0334 | null | null | 0.0401 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.
Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one
Acta Crystallographica Section C
50(1)
(1994)
97-100 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,009,377 | 7.295 | 0.003 | 25.653 | 0.005 | 6.321 | 0.002 | 90 | null | 90 | null | 90 | null | 1,182.9 | 0.7 | 295 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C12 H15 N O4 - | - C12 H15 N O4 - | - C48 H60 N4 O16 - | 4 | 1 | DU1028 | Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F. | Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one | Acta Crystallographica Section C | 1,994 | 50 | 1 | 97 | 100 | 10.1107/S010827019300589X | 0.71073 | MoKα | null | 0.0478 | null | null | 0.0545 | null | null | null | null | 1.22 | 1.22 | null | null | null | has coordinates | Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.
Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one
Acta Crystallographica Section C
50(1)
(1994)
97-100 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,378 | 13.233 | 0.006 | 11.551 | 0.009 | 17.416 | 0.009 | 90 | null | 96.78 | 0.05 | 90 | null | 2,643 | 3 | 213 | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C14 H30 F6 N6 O8 S2 U - | - C14 H30 F6 N6 O8 S2 U - | - C56 H120 F24 N24 O32 S8 U4 - | 4 | 1 | DU1044 | Nierlich, M.; Sabattie, J.-M.; Keller, N.; Lance, M.; Vigner, J.-D. | Inclusion complex between uranyl and an azacrown; structure of [UO~2~(18-azacrown-6)]^2+^.2CF~3~SO~3~^{-^} | Acta Crystallographica Section C | 1,994 | 50 | 1 | 52 | 54 | 10.1107/S0108270193006717 | 0.71073 | MoKα | null | 0.034 | null | null | 0.039 | null | null | null | null | 4.3 | 4.3 | null | null | null | has coordinates | Nierlich, M.; Sabattie, J.-M.; Keller, N.; Lance, M.; Vigner, J.-D.
Inclusion complex between uranyl and an azacrown; structure of [UO~2~(18-azacrown-6)]^2+^.2CF~3~SO~3~^{-^}
Acta Crystallographica Section C
50(1)
(1994)
52-54 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,379 | 10.011 | 0.005 | 13.752 | 0.004 | 12.182 | 0.003 | 90 | null | 113.13 | 0.04 | 90 | null | 1,542.3 | 1.1 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C16 H17 N O3 S - | - C16 H17 N O3 S - | - C64 H68 N4 O12 S4 - | 4 | 1 | DU1045 | Nierlich, M.; Lance, M.; Vigner, D.; Strzalko, T.; Wartski, L. | Structure of <i>trans</i>-methyl {2-[(cyano)(phenylthio)methyl]-3-oxocyclopentyl}acetate, C~16~H~17~NO~3~S | Acta Crystallographica Section C | 1,994 | 50 | 1 | 131 | 133 | 10.1107/S010827019300681X | 0.71073 | MoKα | null | 0.056 | null | null | 0.085 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Nierlich, M.; Lance, M.; Vigner, D.; Strzalko, T.; Wartski, L.
Structure of <i>trans</i>-methyl {2-[(cyano)(phenylthio)methyl]-3-oxocyclopentyl}acetate, C~16~H~17~NO~3~S
Acta Crystallographica Section C
50(1)
(1994)
131-133 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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4,321,854 | 12.987 | 0.002 | 14.942 | 0.002 | 15.622 | 0.002 | 105.184 | 0.006 | 109.207 | 0.008 | 103.632 | 0.007 | 2,584.8 | 0.7 | 197 | null | 197 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C45 H48 F20 Ga Mn O P4 - | - C45 H48 F20 Ga Mn O P4 - | - C90 H96 F40 Ga2 Mn2 O2 P8 - | 2 | 1 | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas | Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands | Inorganic Chemistry | 1,999 | 38 | 1069 | 1084 | 10.1021/ic981263l | 0.71073 | MoKα | 0.0696 | 0.0522 | null | 0.1581 | 0.1462 | null | null | null | 1.179 | 1.235 | 1.235 | null | null | null | has coordinates | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas
Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands
Inorganic Chemistry
38
(1999)
1069-1084 | 179,321 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,380 | 21.226 | 0.003 | 21.226 | 0.003 | 14.306 | 0.002 | 90 | null | 90 | null | 120 | null | 5,581.9 | 1.4 | 295 | null | null | null | null | null | null | null | 5 | P 63 2 2 | P 6c 2c | 182 | - C30 H61 N9 O26 Pt3 - | - C30 N9 O26 Pt3 - | - C120 N36 O104 Pt12 - | 4 | 0.333333 | DU1047 | Khodadad, P.; Rodier, N. | [Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8), 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O | Acta Crystallographica Section C | 1,994 | 50 | 1 | 46 | 48 | 10.1107/S0108270193005979 | 0.7107 | MoKᾱ | null | 0.038 | null | null | 0.051 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Khodadad, P.; Rodier, N.
[Bis(5-oxoprolinato)]platinate(II) d'ammonium hydrate (3/8), 3{[NH~4~][Pt(C~5~H~5~NO~3~)(C~5~H~6~NO~3~)]}.8H~2~O
Acta Crystallographica Section C
50(1)
(1994)
46-48 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,381 | 7.553 | 0.002 | 9.1556 | 0.0008 | 9.966 | 0.002 | 90 | null | 109.301 | 0.008 | 90 | null | 650.4 | 0.2 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - Mo5 O8 Sr - | - Mo5 O8 Sr - | - Mo20 O32 Sr4 - | 4 | 1 | Gall, P.; Gougeon, P. | Structure of SrMo~5~O~8~ Containing Chains of Bioctahedral Mo~10~ Clusters | Acta Crystallographica Section C | 1,994 | 50 | 07 | 09 | null | null | 0.029 | null | null | 0.034 | null | null | null | null | null | null | null | null | null | has coordinates | Gall, P.; Gougeon, P.
Structure of SrMo~5~O~8~ Containing Chains of Bioctahedral Mo~10~ Clusters
Acta Crystallographica Section C
50
(1994)
07-09 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,382 | 13.9571 | 0.0007 | 9.8457 | 0.0008 | 15.231 | 0.002 | 90 | null | 90 | null | 90 | null | 2,093 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | - C22 H16 N6 Ni O2 - | - C22 H16 N6 Ni O2 - | - C88 H64 N24 Ni4 O8 - | 4 | 0.5 | HA1051 | Karmele Urtiaga, M.; Pizarro, J.L.; Cortes, R.; Goñi, A.; Larramendi, J.I.R. | Structure of bis(2,2'-bipyridyl)diisocyanatonickel(II) | Acta Crystallographica Section C | 1,994 | 50 | 1 | 56 | 58 | 10.1107/S0108270193006547 | 0.71069 | MoKα | null | 0.0395 | null | null | 0.0407 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Karmele Urtiaga, M.; Pizarro, J.L.; Cortes, R.; Goñi, A.; Larramendi, J.I.R.
Structure of bis(2,2'-bipyridyl)diisocyanatonickel(II)
Acta Crystallographica Section C
50(1)
(1994)
56-58 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,383 | 11.09 | 0.001 | 8.672 | 0.001 | 20.699 | 0.002 | 90 | null | 94.79 | 0.01 | 90 | null | 1,983.7 | 0.3 | 292 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C20 H26 Br2 O4 - | - C20 H26 Br2 O4 - | - C80 H104 Br8 O16 - | 4 | 1 | HA1055 | Castellano, E.E.; Brocksom, T. J.; Ceschi, M.A. | Structure of a tetracyclic intermediate in the synthesis of <i>Daphniphyllum</i> alkaloids | Acta Crystallographica Section C | 1,994 | 50 | 1 | 124 | 126 | 10.1107/S010827019300647X | 1.5418 | CuKα | null | 0.042 | null | null | 0.049 | null | null | null | null | 2.64 | 2.64 | null | null | null | has coordinates | Castellano, E.E.; Brocksom, T. J.; Ceschi, M.A.
Structure of a tetracyclic intermediate in the synthesis of <i>Daphniphyllum</i> alkaloids
Acta Crystallographica Section C
50(1)
(1994)
124-126 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,384 | 4.624 | 0.002 | 16.6 | 0.002 | 11.687 | 0.002 | 90 | null | 92.43 | 0.02 | 90 | null | 896.3 | 0.4 | 296 | null | 296 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-Carbomethoxy-1-methyl-4-trifluoromethylpyrazole | - C7 H7 F3 N2 O2 - | - C7 H7 F3 N2 O2 - | - C28 H28 F12 N8 O8 - | 4 | 1 | HA1068 | Beagley, Brian; Brown, Celeste; Pritchard, Robin G.; Tajammal, Sabiha; Tipping, Anthony E. | 3-Methoxycarbonyl-1-methyl-4-trifluoromethylpyrazole | Acta Crystallographica Section C | 1,994 | 50 | 1 | 115 | 116 | 10.1107/S0108270193007449 | 0.71069 | MoKα | null | 0.071 | null | null | 0.04 | null | null | null | null | 3 | 3 | null | null | null | has coordinates | Beagley, Brian; Brown, Celeste; Pritchard, Robin G.; Tajammal, Sabiha; Tipping, Anthony E.
3-Methoxycarbonyl-1-methyl-4-trifluoromethylpyrazole
Acta Crystallographica Section C
50(1)
(1994)
115-116 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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2,009,385 | 8.497 | 0.001 | 20.881 | 0.004 | 9.541 | 0.002 | 90 | null | 115.72 | 0.01 | 90 | null | 1,525.1 | 0.5 | 240 | null | null | null | null | null | null | null | 4 | C 1 c 1 | C -2yc | null | - C12 H22 N6 S2 - | - C12 H22 N6 S2 - | - C48 H88 N24 S8 - | 4 | 1 | HH1065 | Ho, D.M.; Pascal, R.A.Jr. | Structure of a cyclophane containing a 1,5,2,4,6,8-dithiatetrazocine ring | Acta Crystallographica Section C | 1,994 | 50 | 1 | 108 | 110 | 10.1107/S0108270193006560 | 0.71073 | MoKα | null | 0.0576 | null | null | 0.0507 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Ho, D.M.; Pascal, R.A.Jr.
Structure of a cyclophane containing a 1,5,2,4,6,8-dithiatetrazocine ring
Acta Crystallographica Section C
50(1)
(1994)
108-110 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
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4,321,853 | 17.528 | 0.004 | 18.192 | 0.004 | 8.169 | 0.002 | 90 | null | 90 | null | 90 | null | 2,604.8 | 1 | 110 | null | 110 | null | null | null | null | null | 7 | P 21 21 2 | P 2 2ab | 18 | - C45 H48 F20 Ga Mn O P4 - | - C45 H42 F20 Ga Mn O P4 - | - C90 H84 F40 Ga2 Mn2 O2 P8 - | 2 | 0.5 | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas | Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands | Inorganic Chemistry | 1,999 | 38 | 1069 | 1084 | 10.1021/ic981263l | 0.71073 | MoKα | 0.1142 | 0.0748 | null | 0.1624 | 0.1463 | null | null | null | 1.089 | 1.202 | 1.202 | null | null | null | has coordinates | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas
Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands
Inorganic Chemistry
38
(1999)
1069-1084 | 179,321 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,009,386 | 7.2032 | 0.001 | 8.2781 | 0.0013 | 10.121 | 0.002 | 66.709 | 0.013 | 89.607 | 0.012 | 79.451 | 0.012 | 543.52 | 0.17 | 296 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C9 H10 N4 O4 - | - C9 H10 N4 O4 - | - C18 H20 N8 O8 - | 2 | 1 | HH1066 | Fronczek, F.R. | 2,4-Dinitrophenylhydrazone derivative of acetone | Acta Crystallographica Section C | 1,994 | 50 | 1 | 122 | 124 | 10.1107/S0108270193006572 | 1.54184 | CuKα | null | 0.058 | null | null | 0.062 | null | null | null | null | 2.643 | 2.643 | null | null | null | has coordinates | Fronczek, F.R.
2,4-Dinitrophenylhydrazone derivative of acetone
Acta Crystallographica Section C
50(1)
(1994)
122-124 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,009,387 | 8.107 | 0.002 | 9.757 | 0.002 | 26.891 | 0.006 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 2,127.1 | 0.8 | 294 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | N-methylnitrilotriacetamide | - C7 H14 N4 O3 - | - C7 H14 N4 O3 - | - C56 H112 N32 O24 - | 8 | 1 | HH1070 | Skrzypczak-Jankun, Ewa; Smith, Douglas A. | <i>N</i>-Methylnitrilotriacetamide, C~7~H~14~N~4~O~3~ | Acta Crystallographica Section C | 1,994 | 50 | 1 | 91 | 93 | 10.1107/S0108270193010844 | 0.71073 | MoKα | null | 0.055 | null | null | 0.073 | null | null | null | null | 1.71 | 1.71 | null | null | null | has coordinates | Skrzypczak-Jankun, Ewa; Smith, Douglas A.
<i>N</i>-Methylnitrilotriacetamide, C~7~H~14~N~4~O~3~
Acta Crystallographica Section C
50(1)
(1994)
91-93 | 301,791 | 2025-08-18 | 23:15:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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