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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3,000,005 | 8.5542 | 0.0006 | 10.5222 | 0.0007 | 10.711 | 0.0007 | 65.084 | 0.001 | 71.622 | 0.001 | 67.507 | 0.001 | 794.06 | 0.09 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H36 Mn N12 O10 - | - C24 H36 Mn N12 O10 - | - C24 H36 Mn N12 O10 - | 1 | 0.5 | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas | H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition | Dalton Transactions | 2,012 | null | 10390 | 10395 | 10.1039/c2dt30992k | 0.71073 | MoKα | 0.0381 | 0.0357 | null | null | 0.0941 | 0.0958 | null | null | null | null | null | 1.074 | null | null | has coordinates | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
(2012)
10390-10395 | 301,810 | 2025-08-19 | 19:21:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301810 $
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2,007,164 | 12.021 | 0.003 | 20.149 | 0.003 | 6.655 | 0.002 | 90 | null | 90 | null | 90 | null | 1,611.9 | 0.7 | 294 | null | 294 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C20 H23 N O - | - C20 H23 N O - | - C80 H92 N4 O4 - | 4 | 1 | FG1351 | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie | Structure and Photochemistry of Four Adamantylacetophenones | Acta Crystallographica Section C | 1,998 | 54 | 4 | 491 | 496 | 10.1107/S0108270197015862 | 0.7107 | MoKα | null | 0.048 | null | null | null | 0.153 | null | null | null | null | null | 1.45 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
Structure and Photochemistry of Four Adamantylacetophenones
Acta Crystallographica Section C
54(4)
(1998)
491-496 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007164.cif $
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2,007,165 | 12.987 | 0.003 | 18.439 | 0.005 | 7.281 | 0.002 | 101.23 | 0.02 | 98.32 | 0.02 | 91.12 | 0.02 | 1,690.1 | 0.8 | 294 | null | 294 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C20 H24 O3 - | - C20 H24 O3 - | - C80 H96 O12 - | 4 | 2 | FG1351 | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie | Structure and Photochemistry of Four Adamantylacetophenones | Acta Crystallographica Section C | 1,998 | 54 | 4 | 491 | 496 | 10.1107/S0108270197015862 | 0.7107 | MoKα | null | 0.079 | null | null | null | 0.248 | null | null | null | null | null | 2.02 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
Structure and Photochemistry of Four Adamantylacetophenones
Acta Crystallographica Section C
54(4)
(1998)
491-496 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007165.cif $
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2,007,166 | 7.983 | 0.004 | 6.054 | 0.003 | 22.595 | 0.001 | 90 | null | 95.74 | 0.01 | 90 | null | 1,086.5 | 0.8 | 253 | null | 253 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C11 H10 N2 O4 - | - C11 H10 N2 O4 - | - C44 H40 N8 O16 - | 4 | 1 | FG1373 | Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto | Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 513 | 515 | 10.1107/S0108270197013474 | 0.71073 | MoKα | 0.0653 | 0.0382 | null | 0.1289 | 0.0995 | null | null | null | 1.003 | 0.947 | 0.947 | null | null | null | has coordinates | Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; Francisco, Regina Helena Porto
Pyridine <i>N</i>-Oxide and 4-Nitrophenol (1:1 Complex)
Acta Crystallographica Section C
54(4)
(1998)
513-515 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007166.cif $
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2,007,167 | 14.381 | 0.003 | 7.697 | 0.003 | 14.2869 | 0.0012 | 90 | null | 100.801 | 0.01 | 90 | null | 1,553.4 | 0.7 | 294 | null | 294 | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | - C12 H18 Mo N4 O4 - | - C12 H18 Mo N4 O4 - | - C48 H72 Mo4 N16 O16 - | 4 | 1 | FG1386 | Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James | A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~] | Acta Crystallographica Section C | 1,998 | 54 | 4 | 473 | 475 | 10.1107/S0108270197015898 | 0.7107 | MoKα | null | 0.027 | null | null | null | 0.053 | null | null | null | null | null | 1.14 | null | null | has coordinates | Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James
A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~]
Acta Crystallographica Section C
54(4)
(1998)
473-475 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007167.cif $
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2,018,069 | 9.4744 | 0.0012 | 9.5803 | 0.0012 | 19.145 | 0.002 | 90 | null | 90 | null | 90 | null | 1,737.7 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)] | - C12 H20 In Na O12 - | - C12 H20 In Na O12 - | - C48 H80 In4 Na4 O48 - | 4 | 1 | LG3055 | Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan | Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)] | Acta Crystallographica Section C | 2,011 | 67 | 5 | m145 | m148 | 10.1107/S0108270111013606 | 0.71073 | MoKα | 0.0378 | 0.0285 | null | null | 0.0532 | 0.0568 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan
Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)]
Acta Crystallographica Section C
67(5)
(2011)
m145-m148 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018069.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,168 | 23.106 | 0.013 | 16.445 | 0.012 | 7.985 | 0.007 | 90 | null | 90 | null | 90 | null | 3,034 | 4 | 294 | null | 294 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C18 H17 N S - | - C18 H17 N S - | - C144 H136 N8 S8 - | 8 | 1 | FG1388 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | 3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione | Acta Crystallographica Section C | 1,998 | 54 | 4 | 496 | 497 | 10.1107/S0108270197015904 | 0.7107 | MoKα | null | 0.063 | null | null | null | 0.206 | null | null | null | null | null | 1.225 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione
Acta Crystallographica Section C
54(4)
(1998)
496-497 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007168.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,169 | 36.149 | 0.011 | 5.471 | 0.001 | 18.673 | 0.007 | 90 | null | 109.47 | 0.03 | 90 | null | 3,481.8 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 3',4"-Didecyl-2,2';5',2";5",2"'-quaterthiophene | - C36 H50 S4 - | - C36 H50 S4 - | - C144 H200 S16 - | 4 | 0.5 | FG1393 | Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario | 3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene | Acta Crystallographica Section C | 1,998 | 54 | 4 | 553 | 555 | 10.1107/S0108270197016302 | 1.5418 | CuKα | 0.0623 | 0.0477 | null | 0.1404 | null | 0.1326 | null | null | 0.963 | null | null | 1.076 | null | null | has coordinates,has disorder | Wang, Shanger; Brisse, François; Bélanger-Gariépy, Francine; Donat-Bouillud, Anne; Leclerc, Mario
3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
Acta Crystallographica Section C
54(4)
(1998)
553-555 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007169.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,170 | 12.558 | 0.004 | 5.4771 | 0.0015 | 23.207 | 0.005 | 90 | null | 90 | null | 90 | null | 1,596.2 | 0.8 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Di(4-nitrobenzenesulfonyl)amine Monohydrate | - C12 H11 N3 O9 S2 - | - C12 H11 N3 O9 S2 - | - C48 H44 N12 O36 S8 - | 4 | 1 | FG1400 | Moers, Oliver; Jones, Peter G.; Blaschette, Armand | Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 504 | 507 | 10.1107/S0108270197016314 | 0.71073 | MoKα | 0.0387 | 0.0323 | null | 0.074 | 0.0724 | null | null | null | 1.063 | 1.114 | 1.114 | null | null | null | has coordinates | Moers, Oliver; Jones, Peter G.; Blaschette, Armand
Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate
Acta Crystallographica Section C
54(4)
(1998)
504-507 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007170.cif $
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3,000,004 | 8.557 | 0.0012 | 9.1663 | 0.0013 | 10.95 | 0.0015 | 108.647 | 0.002 | 108.125 | 0.002 | 101.431 | 0.002 | 729.94 | 0.18 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H32 Mn N12 O10 - | - C22 H32 Mn N12 O10 - | - C22 H32 Mn N12 O10 - | 1 | 0.5 | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas | H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition | Dalton Transactions | 2,012 | null | 10390 | 10395 | 10.1039/c2dt30992k | 0.71073 | MoKα | 0.0419 | 0.0386 | null | null | 0.1033 | 0.1062 | null | null | null | null | null | 1.083 | null | null | has coordinates | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
(2012)
10390-10395 | 301,810 | 2025-08-19 | 19:21:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301810 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/3/00/00/3000004.cif $
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2,007,171 | 17.108 | 0.002 | 10.45 | 0.002 | 15.188 | 0.003 | 90 | null | 93.33 | 0.05 | 90 | null | 2,710.7 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C12 H10 N4 O4 S - | - C12 H10 N4 O4 S - | - C96 H80 N32 O32 S8 - | 8 | 1 | FR1057 | Aygün, Muhittin; Işik, Şamil; Öcal, Nüket; Tahir, M.Nawaz; Kaban, Şeniz; Büyükgüngör, Orhan | Thiophene-2-carbaldehyde <i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>-methylhydrazone | Acta Crystallographica Section C | 1,998 | 54 | 4 | 527 | 529 | 10.1107/S0108270197015928 | 0.7107 | MoKα | 0.0459 | 0.0347 | null | 0.0771 | 0.073 | null | null | null | 0.973 | 1.013 | 1.013 | null | null | null | has coordinates,has disorder | Aygün, Muhittin; Işik, Şamil; Öcal, Nüket; Tahir, M.Nawaz; Kaban, Şeniz; Büyükgüngör, Orhan
Thiophene-2-carbaldehyde <i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>-methylhydrazone
Acta Crystallographica Section C
54(4)
(1998)
527-529 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007171.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,172 | 14.3132 | 0.001 | 10.5769 | 0.0015 | 17.9455 | 0.0013 | 90 | null | 107.351 | 0.006 | 90 | null | 2,593.1 | 0.5 | 170 | null | 170 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | r-5-dimethylamino-1,1,t-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile | - C29 H33 N5 - | - C29 H33 N5 - | - C116 H132 N20 - | 4 | 1 | JZ1241 | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen | Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts | Acta Crystallographica Section C | 1,998 | 54 | 4 | 509 | 513 | 10.1107/S010827019701439X | 0.71069 | MoKα | 0.0484 | 0.0339 | null | 0.0905 | 0.0871 | null | null | null | 1.063 | 1.191 | 1.191 | null | null | null | has coordinates | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
54(4)
(1998)
509-513 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007172.cif $
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2,007,173 | 16.246 | 0.003 | 10.8936 | 0.0008 | 20.173 | 0.003 | 90 | null | 134.282 | 0.009 | 90 | null | 2,555.9 | 0.7 | 200 | null | 200 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | r-5-dimethylamino-1,1,c-6-trimethyl-2,t-6a-di-p-tolyl-1,1a,5,6,6a,6b-hexahydro- cis-1a-transoid-6a,6b-3,3a-diaza-cyclopro-pa[e]indene-4,4-dicarbonitrile | - C29 H33 N5 - | - C29 H33 N5 - | - C116 H132 N20 - | 4 | 1 | JZ1241 | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen | Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts | Acta Crystallographica Section C | 1,998 | 54 | 4 | 509 | 513 | 10.1107/S010827019701439X | 0.71069 | MoKα | 0.0656 | 0.048 | null | 0.1343 | 0.1252 | null | null | null | 0.965 | 1.073 | 1.073 | null | null | null | has coordinates | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
54(4)
(1998)
509-513 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007173.cif $
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2,230,064 | 12.6233 | 0.0011 | 5.8227 | 0.0005 | 15.6745 | 0.0014 | 90 | null | 97.317 | 0.003 | 90 | null | 1,142.72 | 0.17 | 200 | 2 | 200 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Desyl Chloride | 2-Chloro-1,2-diphenylethanone | - C14 H11 Cl O - | - C14 H11 Cl O - | - C56 H44 Cl4 O4 - | 4 | 1 | LD2009 | Betz, Richard; McCleland, Cedric; Hosten, Eric | 2-Chloro-1,2-diphenylethanone (desyl chloride) | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1199 | 10.1107/S1600536811014541 | 0.71073 | MoKα | 0.046 | 0.0369 | null | null | 0.0971 | 0.1041 | null | null | null | null | null | 1.066 | null | null | has coordinates,has Fobs | Betz, Richard; McCleland, Cedric; Hosten, Eric
2-Chloro-1,2-diphenylethanone (desyl chloride)
Acta Crystallographica Section E
67(5)
(2011)
o1199 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230064.cif $
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2,007,174 | 12.156 | 0.002 | 14.537 | 0.0011 | 14.499 | 0.0014 | 90 | null | 100.352 | 0.011 | 90 | null | 2,520.4 | 0.5 | 150 | null | 150 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | c-2-dimethylamino-r-1,1,5-trimethyl-6-(4-methyl-benzoyl)-t-7a-p-tolyl- 1,2,5,7a-tetrahydro-pyrrolizine-3,3-dicarbonitrile | - C29 H32 N4 O - | - C29 H32 N4 O - | - C116 H128 N16 O4 - | 4 | 1 | JZ1241 | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen | Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts | Acta Crystallographica Section C | 1,998 | 54 | 4 | 509 | 513 | 10.1107/S010827019701439X | 0.71069 | MoKα | 0.0556 | 0.0394 | null | 0.1071 | 0.1016 | null | null | null | 1.041 | 1.159 | 1.159 | null | null | null | has coordinates | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
54(4)
(1998)
509-513 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007174.cif $
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2,007,175 | 9.2212 | 0.0004 | 18.0246 | 0.001 | 17.4099 | 0.0008 | 90 | null | 101.016 | 0.005 | 90 | null | 2,840.4 | 0.2 | 170 | null | 170 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1,1-Dimethyl-4a-pyrolidin-1-yl-2,8b-di-p-tolyl-1,1a,4a,5,6,7,8,8a,8b,8c- decahydro-cis-1a-cis-4a-transoid-8a,8b-transoid-8b,8c-3,3a-diaza-cyclopropa [c]fluoren-4,4-dicarbonitril | - C34 H39 N5 - | - C34 H39 N5 - | - C136 H156 N20 - | 4 | 1 | JZ1241 | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen | Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts | Acta Crystallographica Section C | 1,998 | 54 | 4 | 509 | 513 | 10.1107/S010827019701439X | 0.71069 | MoKα | 0.0796 | 0.0344 | null | 0.0551 | 0.0503 | null | null | null | 0.713 | 0.95 | 0.95 | null | null | null | has coordinates | Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen
Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Acta Crystallographica Section C
54(4)
(1998)
509-513 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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3,000,003 | 8.4223 | 0.0006 | 10.1249 | 0.0007 | 11.7854 | 0.0008 | 100.942 | 0.001 | 99.816 | 0.001 | 94.821 | 0.001 | 965.22 | 0.12 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C32 H36 Cd N14 O8 S2 - | - C32 H36 Cd N14 O8 S2 - | - C32 H36 Cd N14 O8 S2 - | 1 | 0.5 | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas | H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition | Dalton Transactions | 2,012 | null | 10390 | 10395 | 10.1039/c2dt30992k | 0.71073 | MoKα | 0.032 | 0.0311 | null | null | 0.0821 | 0.0827 | null | null | null | null | null | 1.059 | null | null | has coordinates | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
(2012)
10390-10395 | 301,810 | 2025-08-19 | 19:21:34 | #------------------------------------------------------------------------------
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2,007,176 | 7.08 | 0.003 | 6.8203 | 0.0005 | 29.473 | 0.004 | 90 | 0.008 | 90.32 | 0.03 | 90 | 0.02 | 1,423.2 | 0.6 | 208 | 2 | 208 | 2 | null | null | null | null | 6 | P 1 2/n 1 | -P 2yac | 13 | Dipyridinomethane cis-Dibromotetrafluoroosmate(IV) | - C11 H12 Br2 F4 N2 Os - | - C11 H12 Br2 F4 N2 Os - | - C44 H48 Br8 F16 N8 Os4 - | 4 | 1 | JZ1245 | Höhling, Matthias; Preetz, Wilhelm | Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~] | Acta Crystallographica Section C | 1,998 | 54 | 4 | 481 | 483 | 10.1107/S0108270197017174 | 0.71069 | MoKα | 0.043 | 0.0261 | null | null | 0.0616 | 0.0734 | null | null | null | null | null | 1.17 | null | null | has coordinates | Höhling, Matthias; Preetz, Wilhelm
Dipyridiniomethane <i>cis</i>-Dibromotetrafluoroosmate(IV), <i>cis</i>-[(C~5~H~5~ N)~2~CH~2~][OsBr~2~F~4~]
Acta Crystallographica Section C
54(4)
(1998)
481-483 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,177 | 9.7824 | 0.0007 | 10.583 | 0.001 | 16.344 | 0.001 | 90 | null | 90 | null | 90 | null | 1,692 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | (R)-2-(4-bromophenyl)-2-oxoethyl 2-methoxymethylpyrrolidine-1- dithiocarboxylate | - C15 H18 Br N O2 S2 - | - C15 H18 Br N O2 S2 - | - C60 H72 Br4 N4 O8 S8 - | 4 | 1 | JZ1254 | Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre | (<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 507 | 509 | 10.1107/S0108270197016570 | 0.71073 | MoKα | 0.125 | 0.0623 | null | 0.1326 | 0.0941 | null | null | null | 1.242 | 1.17 | 1.17 | null | null | null | has coordinates | Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre
(<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate
Acta Crystallographica Section C
54(4)
(1998)
507-509 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,178 | 7.43 | 0.004 | 18.453 | 0.002 | 7.686 | 0.003 | 90 | null | 96.32 | 0.02 | 90 | null | 1,047.4 | 0.7 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2H-1-benzopyran-2-[cyano(methylthio)methylene] | - C12 H9 N O S - | - C12 H9 N O S - | - C48 H36 N4 O4 S4 - | 4 | 1 | JZ1258 | Pochat, Francis; L'Haridon, Paul | α-(2<i>H</i>-1-Benzopyran-2-ylidene)-α-(methylthio)acetonitrile, a Chromylidene Acetonitrile | Acta Crystallographica Section C | 1,998 | 54 | 4 | 531 | 533 | 10.1107/S0108270197015874 | 0.7107 | MoKα | null | 0.058 | null | null | null | 0.066 | null | null | null | null | null | 1.15 | null | null | has coordinates | Pochat, Francis; L'Haridon, Paul
α-(2<i>H</i>-1-Benzopyran-2-ylidene)-α-(methylthio)acetonitrile, a Chromylidene Acetonitrile
Acta Crystallographica Section C
54(4)
(1998)
531-533 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,179 | 12.1747 | 0.0016 | 12.1747 | 0.0016 | 13.791 | 0.002 | 90 | null | 90 | null | 90 | null | 2,044.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 43 | P 4cw | 78 | N,N'-dibutylthiourea-(N-salicylideneglycinato)copper(II) | - C18 H27 Cu N3 O3 S - | - C18 H27 Cu N3 O3 S - | - C72 H108 Cu4 N12 O12 S4 - | 4 | 1 | JZ1262 | Warda, Salam A. | An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 460 | 462 | 10.1107/S0108270197016582 | 0.71073 | MoKα | 0.0545 | 0.035 | null | null | null | 0.0803 | null | null | null | null | null | 1.018 | null | null | has coordinates | Warda, Salam A.
An Exact Quasi-Ferrodistortive Ordering in (<i>N</i>,<i>N</i>'-Di-<i>n</i>-butylthiourea-<i>S</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
54(4)
(1998)
460-462 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,230,063 | 8.0761 | 0.0008 | 7.7874 | 0.0008 | 11.776 | 0.0011 | 90 | null | 95.033 | 0.007 | 90 | null | 737.76 | 0.13 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine | - C19 H17 N - | - C19 H17 N - | - C38 H34 N2 - | 2 | 1 | LD2008 | Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René | (<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1257 | 10.1107/S1600536811012980 | 0.71073 | MoKα | 0.0475 | 0.0343 | null | null | 0.086 | 0.0941 | null | null | null | null | null | 1.023 | null | null | has coordinates,has Fobs | Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René
(<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine
Acta Crystallographica Section E
67(5)
(2011)
o1257 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,007,180 | 7.949 | 0.001 | 13.383 | 0.003 | 14.34 | 0.004 | 104.06 | 0.02 | 102.15 | 0.02 | 95.93 | 0.02 | 1,427.3 | 0.6 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | [1,2-Di(methoxyethyl)cyclopentadienyl]-trichlorozirconium(IV) | - C11 H17 Cl3 O2 Zr - | - C11 H17 Cl3 O2 Zr - | - C44 H68 Cl12 O8 Zr4 - | 4 | 2 | JZ1264 | van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland | [1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 458 | 460 | 10.1107/S0108270197016594 | 0.71073 | MoKα | 0.0578 | 0.0385 | null | 0.1648 | 0.0978 | null | null | null | 1.189 | 1.119 | 1.119 | null | null | null | has coordinates | van der Zeijden, Adolphus A. H.; Mattheis, Chris; Fröhlich, Roland
[1,2-Bis(2-methoxyethyl-<i>O</i>)-η^5^-cyclopentadienyl]trichlorozirconium(IV)
Acta Crystallographica Section C
54(4)
(1998)
458-460 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,181 | 8.546 | 0.001 | 17.865 | 0.002 | 15.044 | 0.002 | 90 | null | 98.14 | 0.02 | 90 | null | 2,273.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | null | - C23 H23 N O8 S - | - C23 H23 N O8 S - | - C92 H92 N4 O32 S4 - | 4 | 1 | LN1030 | Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou | <i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 525 | 527 | 10.1107/S0108270197015631 | 0.71073 | MoKα | 0.0451 | 0.043 | null | 0.088 | 0.0876 | null | null | null | 1.003 | 1.194 | 1.194 | null | null | null | has coordinates | Pèpe, Gérard; Jean-Claude Wallet; Amar Habsaoui; Emile M. Gaydou
<i>p</i>-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate
Acta Crystallographica Section C
54(4)
(1998)
525-527 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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3,000,002 | 8.5931 | 0.0004 | 9.0396 | 0.0004 | 10.9308 | 0.0005 | 109.292 | 0.001 | 107.638 | 0.001 | 101.821 | 0.001 | 718.5 | 0.06 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H32 Cd N12 O10 - | - C22 H32 Cd N12 O10 - | - C22 H32 Cd N12 O10 - | 1 | 0.5 | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas | H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition | Dalton Transactions | 2,012 | null | 10390 | 10395 | 10.1039/c2dt30992k | 0.71073 | MoKα | 0.0232 | 0.0231 | null | null | 0.0591 | 0.0592 | null | null | null | null | null | 1.068 | null | null | has coordinates,has Fobs | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
(2012)
10390-10395 | 301,810 | 2025-08-19 | 19:21:34 | #------------------------------------------------------------------------------
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2,007,182 | 7.471 | 0.001 | 7.735 | 0.001 | 12.33 | 0.001 | 85.043 | 0.007 | 73.879 | 0.008 | 82.665 | 0.007 | 677.94 | 0.14 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H12 Cl N O2 S - | - C14 H12 Cl N O2 S - | - C28 H24 Cl2 N2 O4 S2 - | 2 | 1 | MU1319 | Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay | <i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide | Acta Crystallographica Section C | 1,998 | 54 | 4 | 488 | 489 | 10.1107/S010827019701545X | 0.71073 | MoKα | null | 0.033 | null | null | 0.043 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay
<i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide
Acta Crystallographica Section C
54(4)
(1998)
488-489 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,183 | 10.317 | 0.002 | 5.864 | 0.004 | 24.582 | 0.001 | 90 | null | 100.15 | 0.02 | 90 | null | 1,463.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1-[2-(napthalenyl)]-3-(3-nitrophenyl)-2-propen-1-one | - C19 H13 N O3 - | - C19 H13 N O3 - | - C76 H52 N4 O12 - | 4 | 1 | MU1335 | Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S. | 1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one | Acta Crystallographica Section C | 1,998 | 54 | 4 | 541 | 542 | 10.1107/S0108270197015953 | 1.5418 | CuKα | 0.029 | 0.028 | null | 0.118 | 0.097 | null | null | null | 1.079 | 0.925 | 0.925 | null | null | null | has coordinates | Shanmuga Sundara Raj, S.; Ponnuswamy, M. N.; Shanmugam, G.; Nanjundan, S.
1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one
Acta Crystallographica Section C
54(4)
(1998)
541-542 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,184 | 7.596 | 0.001 | 15.53 | 0.002 | 6.966 | 0.001 | 90 | null | 90 | null | 90 | null | 821.75 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n n m | -P 2 2n | 58 | Bis (2-chloroimidazolium) hexachloroplatinate(IV) | - C6 H8 Cl8 N4 Pt - | - C6 H8 Cl8 N4 Pt - | - C12 H16 Cl16 N8 Pt2 - | 2 | 0.25 | MU1347 | Giovanni Valle; Renato Ettorre | Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~] | Acta Crystallographica Section C | 1,998 | 54 | 4 | 448 | 449 | 10.1107/S0108270197015965 | 0.7107 | MoKα | 0.048 | 0.041 | null | 0.106 | 0.101 | null | null | null | 1.283 | 1.329 | 1.329 | null | null | null | has coordinates | Giovanni Valle; Renato Ettorre
Bis(2-chloro-1<i>H</i>-imidazol-3-ium) Hexachloroplatinate(IV), (C~3~H~4~ClN~2~)~2~[PtCl~6~]
Acta Crystallographica Section C
54(4)
(1998)
448-449 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,185 | 9.7495 | 0.0009 | 13.0024 | 0.0014 | 16.358 | 0.002 | 90 | null | 94.096 | 0.008 | 90 | null | 2,068.4 | 0.4 | 293 | 2 | 294 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (6,7-Dimethyl-2,3-bis(2-pyridyl)-quinoxaline-N,N')-dichloro-palladium(II) hydrate | - C20 H18 Cl2 N4 O Pd - | - C20 H16 Cl2 N4 O Pd - | - C80 H64 Cl8 N16 O4 Pd4 - | 4 | 1 | MU1352 | Nicoló, Francesco; Cusumano, Matteo; Di Pietro, Maria Letizia; Scopelliti, Rosario; Bruno, Giuseppe | Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-<i>N</i>)quinoxaline]palladium(II) Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 485 | 487 | 10.1107/S0108270198000511 | 0.71073 | MoKα | 0.0357 | 0.0285 | null | 0.0879 | 0.0862 | null | null | null | 1.05 | 1.159 | 1.159 | null | null | null | has coordinates | Nicoló, Francesco; Cusumano, Matteo; Di Pietro, Maria Letizia; Scopelliti, Rosario; Bruno, Giuseppe
Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-<i>N</i>)quinoxaline]palladium(II) Monohydrate
Acta Crystallographica Section C
54(4)
(1998)
485-487 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,186 | 9.337 | 0.008 | 7.597 | 0.004 | 9.321 | 0.006 | 90 | null | 104.46 | 0.07 | 90 | null | 640.2 | 0.8 | 110 | 1 | 110 | 1 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | L-histidinol phosphate tetrahydrate | - C6 H20 N3 O8 P - | - C6 H20 N3 O8 P - | - C12 H40 N6 O16 P2 - | 2 | 1 | MU1353 | Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo | <small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K | Acta Crystallographica Section C | 1,998 | 54 | 4 | 559 | 561 | 10.1107/S0108270197016776 | 0.71073 | MoKα | 0.038 | 0.027 | null | 0.069 | 0.065 | null | null | null | 1.104 | 1.131 | 1.131 | null | null | null | has coordinates | Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo
<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K
Acta Crystallographica Section C
54(4)
(1998)
559-561 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,187 | 9.359 | 0.007 | 7.621 | 0.003 | 9.367 | 0.006 | 90 | null | 104.31 | 0.06 | 90 | null | 647.4 | 0.7 | 240 | 1 | 240 | 1 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | L-histidinol phosphate tetrahydrate | - C6 H20 N3 O8 P - | - C6 H20 N3 O8 P - | - C12 H40 N6 O16 P2 - | 2 | 1 | MU1353 | Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo | <small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K | Acta Crystallographica Section C | 1,998 | 54 | 4 | 559 | 561 | 10.1107/S0108270197016776 | 0.71073 | MoKα | 0.0579 | 0.0311 | null | 0.0865 | 0.0778 | null | null | null | 1.048 | 1.083 | 1.083 | null | null | null | has coordinates | Lis, Tadeusz; Mazurek, Jarosław; Okabe, Nobuo
<small>L</small>-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K
Acta Crystallographica Section C
54(4)
(1998)
559-561 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,188 | 12.686 | 0.001 | 12.686 | 0.001 | 9.314 | 0.002 | 90 | null | 90 | null | 120 | null | 1,298.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 3 1 c | P 3 -2c | 159 | Tris(N,N'-diethylthiourea)copper(I)Iodide | - C15 H36 Cu I N6 S3 - | - C15 H36 Cu I N6 S3 - | - C30 H72 Cu2 I2 N12 S6 - | 2 | 0.333333 | MU1356 | Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit | Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 453 | 456 | 10.1107/S0108270197016764 | 0.71073 | MoKα | 0.037 | 0.03 | null | 0.081 | 0.077 | null | null | null | 0.994 | 1.056 | 1.056 | null | null | null | has coordinates | Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit
Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)
Acta Crystallographica Section C
54(4)
(1998)
453-456 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,230,062 | 18.505 | 0.009 | 27.012 | 0.013 | 7.63 | 0.004 | 90 | null | 90 | null | 90 | null | 3,814 | 3 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P b a 2 | P 2 -2ab | 32 | <i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione | - C21 H23 Cl N2 O2 - | - C21 H23 Cl N2 O2 - | - C168 H184 Cl8 N16 O16 - | 8 | 2 | LD2006 | Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua | <i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1251 | 10.1107/S1600536811013468 | 0.71073 | MoKα | 0.1265 | 0.0593 | null | null | 0.109 | 0.1289 | null | null | null | null | null | 0.993 | null | null | has coordinates,has Fobs | Huang, Jian-Xin; Duan, Wen-Gui; Ma, Xian-Li; Mo, Qi-Jin; Liang, Yin-Hua
<i>rac</i>-(1<i>R</i>,2<i>S</i>,6<i>R</i>,7<i>R</i>)-4-{[(1<i>E</i>)-(2-Chlorophenyl)methylidene]amino}-1-isopropyl-7-methyl-4-azatricyclo[5.2.2.0^2,6^]undec-8-ene-3,5-dione
Acta Crystallographica Section E
67(5)
(2011)
o1251 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230062.cif $
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2,007,189 | 12.792 | 0.001 | 12.792 | 0.001 | 9.335 | 0.001 | 90 | null | 90 | null | 120 | null | 1,322.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 3 1 c | P 3 -2c | 159 | Tris(N,N'-diethylthiourea)silver(I) Iodide | - C15 H36 Ag I N6 S3 - | - C15 H36 Ag I N6 S3 - | - C30 H72 Ag2 I2 N12 S6 - | 2 | 0.333333 | MU1356 | Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit | Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 453 | 456 | 10.1107/S0108270197016764 | 0.71073 | MoKα | 0.045 | 0.027 | null | 0.07 | 0.065 | null | null | null | 0.901 | 1.038 | 1.038 | null | null | null | has coordinates,has disorder | Fun, Hoong-Kun; Razak, Ibrahim Abdul; Pakawatchai, Chaveng; Khaokong, Chuanpit; Chantrapromma, Suchada; Saithong, Saowanit
Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodocopper(I) and Tris(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)iodosilver(I)
Acta Crystallographica Section C
54(4)
(1998)
453-456 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007189.cif $
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2,007,190 | 25.049 | 0.004 | 9.043 | 0.001 | 15.956 | 0.002 | 90 | null | 102.2 | 0.01 | 90 | null | 3,532.7 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C15 H13 Co N12 - | - C15 H13 Co N12 - | - C120 H104 Co8 N96 - | 8 | 1 | MU1361 | Zhong-Ning Chen; Alvin Siu; Cheng-Yong Su; Ian Williams; Bei-Sheng Kang | <i>fac</i>-Triazido(2,2'-bipyridine-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 479 | 481 | 10.1107/S0108270197016375 | 0.71073 | MoKα | 0.0547 | 0.0351 | null | 0.041 | 0.0357 | null | null | null | 1.029 | 1.083 | 1.083 | null | null | null | has coordinates | Zhong-Ning Chen; Alvin Siu; Cheng-Yong Su; Ian Williams; Bei-Sheng Kang
<i>fac</i>-Triazido(2,2'-bipyridine-<i>N</i>,<i>N</i>')(pyridine-<i>N</i>)cobalt(III)
Acta Crystallographica Section C
54(4)
(1998)
479-481 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007190.cif $
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2,007,191 | 12.615 | 0.002 | 9.514 | 0.001 | 13.721 | 0.001 | 90 | null | 116.58 | 0.01 | 90 | null | 1,472.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Catena-(Propionato)(di-2-pyridylamine)-nitrato-copper(II) | - C13 H14 Cu N4 O5 - | - C13 H14 Cu N4 O5 - | - C52 H56 Cu4 N16 O20 - | 4 | 1 | MU1370 | Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun | <i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>'] | Acta Crystallographica Section C | 1,998 | 54 | 4 | 451 | 453 | 10.1107/S0108270197016405 | 0.71073 | MoKα | 0.0493 | 0.0323 | null | 0.0934 | 0.0876 | null | null | null | 0.985 | 1.104 | 1.104 | null | null | null | has coordinates | Sujittra Youngme; Chaveng Pakawatchai; Hoong-Kun Fun
<i>catena</i>-Poly[[(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>,<i>O</i>')copper(II)]-μ-nitrato-<i>O</i>:<i>O</i>']
Acta Crystallographica Section C
54(4)
(1998)
451-453 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007191.cif $
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2,007,192 | 5.4759 | 0.0007 | 7.4682 | 0.0006 | 50.997 | 0.005 | 90 | null | 90 | null | 90 | null | 2,085.5 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C25 H27 Cl O3 - | - C25 H27 Cl O3 - | - C100 H108 Cl4 O12 - | 4 | 1 | NA1312 | Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang | 17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene | Acta Crystallographica Section C | 1,998 | 54 | 4 | 521 | 523 | 10.1107/S010827019701737X | 1.54178 | CuKα | 0.8 | 0.06 | null | 0.175 | 0.156 | null | null | null | 1.044 | 1.07 | 1.07 | null | null | null | has coordinates,has Fobs | Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang
17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene
Acta Crystallographica Section C
54(4)
(1998)
521-523 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,018,068 | 11.736 | 0.003 | 6.801 | 0.0016 | 12.793 | 0.003 | 90 | null | 102.686 | 0.002 | 90 | null | 996.2 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Poly[diaqua-μ~4~-sulfato-di-μ~4~-sulfito-didysprosium(III)] | - Dy2 H4 O12 S3 - | - Dy2 H4 O12 S3 - | - Dy8 H16 O48 S12 - | 4 | 0.5 | KU3040 | Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su | Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound | Acta Crystallographica Section C | 2,011 | 67 | 5 | i27 | i29 | 10.1107/S0108270111009048 | 0.71073 | MoKα | 0.0264 | 0.022 | null | null | 0.0471 | 0.0487 | null | null | null | null | null | 1.086 | null | null | has coordinates,has Fobs | Zhang, Zai-Chao; Wang, Jia-Hong; Zhao, Pu-Su
Dy~2~(SO~3~)~2~(SO~4~)(H~2~O)~2~: the first lanthanide mixed sulfate‒sulfite inorganic compound
Acta Crystallographica Section C
67(5)
(2011)
i27-i29 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018068.cif $
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2,007,193 | 9.345 | 0.002 | 14.683 | 0.004 | 11.244 | 0.003 | 90 | null | 93.07 | 0.02 | 90 | null | 1,540.6 | 0.7 | 292 | null | 292 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Magnesium sulfate tetraurea monohydrate | - C4 H18 Mg N8 O9 S - | - C4 H18 Mg N8 O9 S - | - C16 H72 Mg4 N32 O36 S4 - | 4 | 1 | NA1321 | Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova | Magnesium Sulfate Tetraurea Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 456 | 458 | 10.1107/S0108270197012912 | 0.71073 | MoKα | null | 0.03 | null | null | null | 0.047 | null | null | null | null | null | 0.966 | null | null | has coordinates | Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova
Magnesium Sulfate Tetraurea Monohydrate
Acta Crystallographica Section C
54(4)
(1998)
456-458 | 191,097 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 16:25:52 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191097 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007193.cif $
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2,007,194 | 12.643 | 0.001 | 12.643 | 0.001 | 12.643 | 0.001 | 90 | null | 90 | null | 90 | null | 2,020.9 | 0.3 | 297 | 2 | 297 | 2 | null | null | null | null | 3 | P m -3 | -P 2 2 3 | 200 | α-(AlMnSi) | α-(AlMnSi) | - Al4 Mn1.01 Si0.74 - | - Al4.0125 Mn Si0.7375 - | - Al96.3 Mn24 Si17.7 - | 24 | 1 | OH1107 | Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji | Re-Refinement of α-(AlMnSi) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 445 | 447 | 10.1107/S0108270197015989 | 0.71069 | MoKα | 0.066 | 0.031 | null | 0.062 | 0.057 | null | null | null | 0.959 | 1.09 | 1.09 | null | null | null | has coordinates,has Fobs | Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji
Re-Refinement of α-(AlMnSi)
Acta Crystallographica Section C
54(4)
(1998)
445-447 | 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/2/00/71/2007194.cif $
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2,007,195 | 10.753 | 0.002 | 18.955 | 0.004 | 10.326 | 0.002 | 93.87 | 0.02 | 117.92 | 0.01 | 100.9 | 0.02 | 1,796.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,6-di(triphenylphosphine)-closo-decaborane | - C36 H38 B10 P2 - | - C36 H38 B10 P2 - | - C72 H76 B20 P4 - | 2 | 1 | QA0034 | Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jin-De Wei; Zu-En Huang; Ruo-Shui Jin; Pei-Ju Zheng | A Neutral Triphenylphosphine-Substituted <i>closo</i>-Decaborane: 1,6-(PPh~3~)~2~B~10~H~8~ | Acta Crystallographica Section C | 1,998 | 54 | 4 | IUC9800008 | 10.1107/S0108270198099764 | 0.71069 | MoKα | null | 0.0649 | null | null | null | 0.1799 | null | null | null | null | null | 0.984 | null | null | has coordinates | Hai-Jun Yao; Chun-Hua Hu; Jian-Min Dou; Jie Sun; Jin-De Wei; Zu-En Huang; Ruo-Shui Jin; Pei-Ju Zheng
A Neutral Triphenylphosphine-Substituted <i>closo</i>-Decaborane: 1,6-(PPh~3~)~2~B~10~H~8~
Acta Crystallographica Section C
54(4)
(1998)
IUC9800008 | 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/2/00/71/2007195.cif $
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2,007,196 | 12.1045 | 0.001 | 21.6675 | 0.0012 | 21.1669 | 0.0014 | 90 | null | 90 | null | 90 | null | 5,551.5 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P c c n | -P 2ab 2ac | 56 | [tris(2-(2-methoxyethoxy)ethyl)amine]potassium hexaiodotetracuprate(I) | - C30 H66 Cu4 I6 K2 N2 O12 - | - C30 H66 Cu4 I5 K2 N2 O12 - | - C120 H264 Cu16 I20 K8 N8 O48 - | 4 | 0.5 | QB0033 | Mague, Joel T. | Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I) | Acta Crystallographica Section C | 1,998 | 54 | 4 | IUC9800010 | 10.1107/S0108270198099776 | 0.71073 | MoKα | 0.1039 | 0.0311 | null | 0.0931 | null | 0.0723 | null | null | 1.012 | null | null | 1.102 | null | null | has coordinates,has disorder,has Fobs | Mague, Joel T.
Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)
Acta Crystallographica Section C
54(4)
(1998)
IUC9800010 | 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/2/00/71/2007196.cif $
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2,007,197 | 8.543 | 0.003 | 12.76 | 0.004 | 7.8 | 0.003 | 98.39 | 0.03 | 114.84 | 0.03 | 88.36 | 0.03 | 762.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C17 H10 F7 N O - | - C17 H10 F7 N O - | - C34 H20 F14 N2 O2 - | 2 | 1 | QB0034 | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. | The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one | Acta Crystallographica Section C | 1,998 | 54 | 4 | IUC9800009 | 10.1107/S0108270198099752 | 0.7107 | MoKα | 0.193 | 0.0587 | null | 0.1861 | 0.1354 | null | null | null | 0.978 | 1.133 | 1.133 | null | null | null | has coordinates | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one
Acta Crystallographica Section C
54(4)
(1998)
IUC9800009 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/71/2007197.cif $
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2,230,061 | 18.6999 | 0.0009 | 5.6415 | 0.0003 | 28.4855 | 0.0014 | 90 | null | 94.498 | 0.001 | 90 | null | 2,995.8 | 0.3 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | <i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7- tetrahydro-2<i>H</i>-indazole | - C17 H20 N2 O2 - | - C17 H20 N2 O2 - | - C136 H160 N16 O16 - | 8 | 1 | KP2321 | Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Aliyev, Ilkin V. | <i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2<i>H</i>-indazole | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1127 | 10.1107/S1600536811013195 | 0.71073 | MoKα | 0.0546 | 0.045 | null | null | 0.1201 | 0.1287 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Maharramov, Abel M.; Ismiyev, Arif I.; Rashidov, Bahruz A.; Aliyev, Ilkin V.
<i>rac</i>-5-Acetyl-6-hydroxy-3,6-dimethyl-4-phenyl-4,5,6,7-tetrahydro-2<i>H</i>-indazole
Acta Crystallographica Section E
67(5)
(2011)
o1127 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,007,198 | 7.533 | 0.002 | 10.306 | 0.003 | 20.139 | 0.005 | 90 | null | 95.24 | 0.02 | 90 | null | 1,557 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H10 F7 N O - | - C17 H10 F7 N O - | - C68 H40 F28 N4 O4 - | 4 | 1 | QB0034 | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J. | The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one | Acta Crystallographica Section C | 1,998 | 54 | 4 | IUC9800009 | 10.1107/S0108270198099752 | 0.7107 | MoKα | 0.0796 | 0.0379 | null | 0.1268 | 0.0969 | null | null | null | 1.025 | 1.031 | 1.031 | null | null | null | has coordinates | Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
The (1<i>S</i>,9a<i>R</i>) and (1<i>S</i>,9a<i>S</i>) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4<i>H</i>-quinolizin-4-one
Acta Crystallographica Section C
54(4)
(1998)
IUC9800009 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,199 | 10.458 | 0.002 | 10.925 | 0.002 | 12.097 | 0.002 | 86.17 | 0.03 | 81.83 | 0.03 | 76.31 | 0.03 | 1,328.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H16 I N8 Sb - | - C32 H16 I N8 Sb - | - C64 H32 I2 N16 Sb2 - | 2 | 1 | SK1152 | Kubiak, Ryszard; Razik, Mariola | (Phthalocyaninato)antimony Iodide | Acta Crystallographica Section C | 1,998 | 54 | 4 | 483 | 485 | 10.1107/S0108270197016867 | 0.71073 | MoKα | 0.0862 | 0.0387 | null | 0.1001 | 0.0859 | null | null | null | 0.985 | 1.081 | 1.081 | null | null | null | has coordinates | Kubiak, Ryszard; Razik, Mariola
(Phthalocyaninato)antimony Iodide
Acta Crystallographica Section C
54(4)
(1998)
483-485 | 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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2,007,200 | 14.266 | 0.002 | 13.528 | 0.001 | 11.747 | 0.001 | 90 | null | 90 | null | 90 | null | 2,267.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 9-(4-DIMETHYLAMINOPHENYL) 3,4,6,9,10-HEXAHYDRO 2,2,8,8-TETRAMETHYL 1,8(2H,5H)-ACRIDINE DIONE | - C25 H32 N2 O2 - | - C25 H32 N2 O2 - | - C100 H128 N8 O8 - | 4 | 1 | VJ1060 | V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan | 9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione | Acta Crystallographica Section C | 1,998 | 54 | 4 | 557 | 559 | 10.1107/S0108270197016727 | 0.71073 | MoKα | 0.1029 | 0.0565 | null | 0.1507 | 0.1261 | null | null | null | 1.032 | 1.126 | 1.126 | null | null | null | has coordinates | V.K. Ganesh; D.Velmurugan; M.Bidya Sagar; P.Murugan
9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Acta Crystallographica Section C
54(4)
(1998)
557-559 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,201 | 5.4376 | 0.0005 | 7.2577 | 0.0008 | 22.773 | 0.002 | 90 | null | 90 | null | 90 | null | 898.72 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | D-PHENYLGLYCINE HYDROCHLORIDE | D-α-Aminophenyl acetic acid hydrochloride | - C8 H10 Cl N O2 - | - C8 H10 Cl N O2 - | - C32 H40 Cl4 N4 O8 - | 4 | 1 | VJ1074 | Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana | <small>D</small>-Phenylglycine Hydrochloride | Acta Crystallographica Section C | 1,998 | 54 | 4 | 499 | 501 | 10.1107/S0108270197014674 | 0.71073 | MoKα | 0.045 | 0.035 | null | 0.127 | 0.106 | null | null | null | 0.768 | 0.747 | 0.747 | null | null | null | has coordinates | Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana
<small>D</small>-Phenylglycine Hydrochloride
Acta Crystallographica Section C
54(4)
(1998)
499-501 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,202 | 9.8899 | 0.0013 | 10.1168 | 0.001 | 10.5673 | 0.0009 | 86.702 | 0.009 | 88.222 | 0.011 | 72.206 | 0.009 | 1,004.95 | 0.19 | 293 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 8-hydroxyquinoline salicylate-salicylic acid complex | - C23 H19 N O7 - | - C23 H19 N O7 - | - C46 H38 N2 O14 - | 2 | 1 | VJ1075 | Jebamony, Justin Robert; Thomas Muthiah, Packianathan | 8-Hydroxyquinolinium–Salicylate–Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~ | Acta Crystallographica Section C | 1,998 | 54 | 4 | 539 | 540 | 10.1107/S0108270197013930 | 0.71069 | MoKα | null | 0.0313 | null | null | null | 0.009 | null | null | null | null | null | 1.044 | null | null | has coordinates | Jebamony, Justin Robert; Thomas Muthiah, Packianathan
8-Hydroxyquinolinium–Salicylate–Salicylic Acid (1/1/1) Complex, C~9~H~8~NO^+^.C~7~H~5~O~3~^{-^}.C~7~H~6~O~3~
Acta Crystallographica Section C
54(4)
(1998)
539-540 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,203 | 11.188 | 0.004 | 13.672 | 0.009 | 27.352 | 0.002 | 90 | null | 90 | null | 90 | null | 4,184 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C28 H20 N2 O - | - C28 H20 N2 O - | - C224 H160 N16 O8 - | 8 | 1 | AB1463 | Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian | 1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one | Acta Crystallographica Section C | 1,998 | 54 | 5 | 629 | 630 | 10.1107/S0108270197017411 | 1.5418 | CuKα | 0.0714 | 0.059 | null | 0.1735 | 0.1634 | null | null | null | 1.103 | 1.183 | 1.183 | null | null | null | has coordinates | Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian
1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one
Acta Crystallographica Section C
54(5)
(1998)
629-630 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007203.cif $
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2,230,060 | 8.8866 | 0.0004 | 14.6386 | 0.0007 | 9.186 | 0.0004 | 90 | null | 91.618 | 0.001 | 90 | null | 1,194.51 | 0.09 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7- dimethoxy-17-methylmorphinan-6-one monohydrate | - C26 H30 Cl N O5 - | - C26 H30 Cl N O5 - | - C52 H60 Cl2 N2 O10 - | 2 | 1 | KP2320 | Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui | (8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1190 | 10.1107/S1600536811013973 | 0.71073 | MoKα | 0.0322 | 0.0299 | null | null | 0.0796 | 0.082 | null | null | null | null | null | 1.045 | null | null | has coordinates,has Fobs | Zheng, Xing-Liang; Chen, Shu-Jun; Jiang, Ning-Fei; Zhan, Sue-Hui
(8<i>S</i>,9<i>S</i>,10<i>R</i>)-4-(4-Chlorobenzyloxy)-7,8-didehydro-3,7-dimethoxy-17-methylmorphinan-6-one monohydrate
Acta Crystallographica Section E
67(5)
(2011)
o1190 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230060.cif $
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2,007,204 | 9.346 | 0.001 | 14.441 | 0.001 | 24.524 | 0.002 | 90 | 0.01 | 97.13 | 0.01 | 94.55 | 0.01 | 3,273.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1H-[1,3]oxazino[3,2-a] [1,5]benzodiazepin-1-one | - C43 H32 N2 O3 - | - C43 H32 N2 O3 - | - C172 H128 N8 O12 - | 4 | 2 | AB1494 | Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W. | 7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1<i>H</i>-[1,3]oxazino[3,2-<i>a</i>][1,5]benzodiazepin-1-one | Acta Crystallographica Section C | 1,998 | 54 | 5 | 666 | 668 | 10.1107/S010827019701740X | 0.71073 | MoKα | 0.2057 | 0.0451 | null | 0.179 | 0.113 | null | null | null | 0.973 | 1.163 | 1.163 | null | null | null | has coordinates | Xu, Jiaxi; Jin, Sheng; Zhang, Zeying; Mak, Thomas C. W.
7-Benzoyl-2,3,4a,6-tetraphenyl-4a,5,6,7-tetrahydro-1<i>H</i>-[1,3]oxazino[3,2-<i>a</i>][1,5]benzodiazepin-1-one
Acta Crystallographica Section C
54(5)
(1998)
666-668 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007204.cif $
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2,007,205 | 7.0939 | 0.0006 | 9.2625 | 0.0008 | 11.657 | 0.001 | 90 | null | 97.672 | 0.001 | 90 | null | 759.09 | 0.11 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Acetaminophen | 4-acetaminophenol | - C8 H9 N O2 - | - C8 H9 N O2 - | - C32 H36 N4 O8 - | 4 | 1 | AV1018 | Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard | The Monoclinic Form of Acetaminophen at 150K | Acta Crystallographica Section C | 1,998 | 54 | 5 | 653 | 655 | 10.1107/S0108270197018386 | 0.71073 | MoKα | 0.0671 | 0.0555 | null | 0.1119 | 0.1069 | null | null | null | 1.185 | 1.209 | 1.209 | null | null | null | has coordinates,has Fobs | Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard
The Monoclinic Form of Acetaminophen at 150K
Acta Crystallographica Section C
54(5)
(1998)
653-655 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007205.cif $
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2,007,206 | 26.831 | 0.002 | 15.2944 | 0.0007 | 24.952 | 0.001 | 90 | null | 94 | 0.01 | 90 | null | 10,214.5 | 1 | 296 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C18 H12 Cl12 O2 - | - C18 H12 Cl12 O2 - | - C288 H192 Cl192 O32 - | 16 | 2 | BK1349 | Garcia, J. Gabriel; Fronczek, Frank R. | <i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene | Acta Crystallographica Section C | 1,998 | 54 | 5 | 645 | 647 | 10.1107/S0108270197014005 | 0.71073 | MoKα | null | 0.057 | null | null | 0.039 | null | null | null | null | 1.243 | 1.243 | null | null | null | has coordinates | Garcia, J. Gabriel; Fronczek, Frank R.
<i>endo</i>-<i>endo</i>-<i>anti</i> Diels–Alder Diadduct of Hexachlorocyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene
Acta Crystallographica Section C
54(5)
(1998)
645-647 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,207 | 9.295 | 0.001 | 9.295 | 0.001 | 17.689 | 0.003 | 90 | null | 90 | null | 120 | null | 1,323.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -6 2 c | P -6c -2c | 190 | Tri-aquo-tris-(oxydiacetate) (europium(III) lanthanum(III))-pentahydrate | - C12 H28 Eu La O23 - | - C12 H12 Eu La O22.98 - | - C24 H24 Eu2 La2 O45.96 - | 2 | 0.166667 | BK1364 | Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille | Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 591 | 594 | 10.1107/S0108270197017356 | 0.71073 | MoKα | 0.0267 | 0.023 | null | 0.065 | 0.0632 | null | null | null | 1.09 | 1.11 | 1.11 | null | null | null | has coordinates | Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille
Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate
Acta Crystallographica Section C
54(5)
(1998)
591-594 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,208 | 10.309 | 0.002 | 11.451 | 0.002 | 13.361 | 0.003 | 96.706 | 0.002 | 93.109 | 0.003 | 105.188 | 0.002 | 1,505.8 | 0.5 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H30 N6 Ni O6 - | - C32 H30 N6 Ni O6 - | - C64 H60 N12 Ni2 O12 - | 2 | 1 | BM1157 | Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem | {2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 –)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II) | Acta Crystallographica Section C | 1,998 | 54 | 5 | 623 | 625 | 10.1107/S0108270197016545 | 0.71069 | MoKα | null | 0.042 | null | null | 0.047 | null | null | null | null | 0.83 | 0.83 | null | null | null | has coordinates | Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Bas̨gut, Özlem
{2-[(2-Hydroxy-5-methylphenyl)iminomethyl]-4,6-dinitrophenolato(2 –)-<i>O</i>,<i>N</i>,<i>O</i>'}tris(3-methylpyridine-<i>N</i>)nickel(II)
Acta Crystallographica Section C
54(5)
(1998)
623-625 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,230,059 | 7.1294 | 0.0014 | 35.469 | 0.007 | 9.0211 | 0.0018 | 90 | null | 97.8 | 0.03 | 90 | null | 2,260.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | - C10 H9 Cl N4 S - | - C10 H9 Cl N4 S - | - C80 H72 Cl8 N32 S8 - | 8 | 2 | KP2319 | Gao, Jin-Sheng; Qiao, Jun; Yu, Ying-Hui; Hou, Guang-Feng | (<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1140 | 10.1107/S1600536811013316 | 0.71073 | MoKα | 0.0721 | 0.0481 | null | null | 0.1228 | 0.1365 | null | null | null | null | null | 1.077 | null | null | has coordinates,has Fobs | Gao, Jin-Sheng; Qiao, Jun; Yu, Ying-Hui; Hou, Guang-Feng
(<i>Z</i>)-<i>N</i>-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide
Acta Crystallographica Section E
67(5)
(2011)
o1140 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,209 | 9.999 | 0.001 | 13.867 | 0.002 | 8.911 | 0.004 | 90.81 | 0.02 | 91.18 | 0.02 | 104.91 | 0.01 | 1,193.5 | 0.6 | 288 | 2 | 288 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C18 H35 N7 Ni S2 - | - C18 H35 N7 Ni S2 - | - C36 H70 N14 Ni2 S4 - | 2 | 1 | BM1168 | Choi, Ki Young; Kim, Dong Won; Kim, Kyung-Han; Oh, Mi-Ran; Suh, Il-Hwan | Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-<i>N</i>)nickel(II) Complexes | Acta Crystallographica Section C | 1,998 | 54 | 5 | 627 | 628 | 10.1107/S0108270197017368 | 0.71069 | MoKα | 0.1058 | 0.0583 | null | 0.1073 | 0.0936 | null | null | null | 1.27 | 1.438 | 1.438 | null | null | null | has coordinates | Choi, Ki Young; Kim, Dong Won; Kim, Kyung-Han; Oh, Mi-Ran; Suh, Il-Hwan
Co-Crystallized (Macrocyclic tetraamine)bis(thiocyanato-<i>N</i>)nickel(II) Complexes
Acta Crystallographica Section C
54(5)
(1998)
627-628 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,210 | 13.436 | 0.002 | 14.584 | 0.004 | 14.327 | 0.003 | 90 | null | 104.891 | 0.015 | 90 | null | 2,713.1 | 1 | 213 | 2 | 213 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin | - C58 H70 N4 Si2 - | - C58 H70 N4 Si2 - | - C116 H140 N8 Si4 - | 2 | 0.5 | BM1176 | Huuskonen, S.-P. Juhani; Wilson, G. Scott; Anderson, Harry L. | 5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin | Acta Crystallographica Section C | 1,998 | 54 | 5 | 662 | 664 | 10.1107/S0108270197017162 | 1.54184 | CuKα | 0.0466 | 0.0409 | null | null | 0.1155 | 0.1198 | null | null | null | null | null | 1.055 | null | null | has coordinates | Huuskonen, S.-P. Juhani; Wilson, G. Scott; Anderson, Harry L.
5,15-Bis(3,5-di-<i>tert</i>-butylphenyl)-10,20-bis(trimethylsilylethynyl)porphyrin
Acta Crystallographica Section C
54(5)
(1998)
662-664 | 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/2/00/72/2007210.cif $
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2,007,211 | 19.639 | 0.003 | 13.143 | 0.002 | 15.1992 | 0.0014 | 90 | null | 101.845 | 0.013 | 90 | null | 3,839.6 | 0.9 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Tetrachloro-bis[3-(2-pyridyl)pyrazolato]-bis(N,N'-dimethyformamide) diindium(III) bis(N,N'-dimethyformamide) solvate | - C28 H40 Cl4 In2 N10 O4 - | - C28 H40 Cl4 In2 N10 O4 - | - C112 H160 Cl16 In8 N40 O16 - | 4 | 0.5 | BM1206 | Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A. | A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands | Acta Crystallographica Section C | 1,998 | 54 | 5 | 601 | 603 | 10.1107/S0108270197019185 | 0.71073 | MoKα | 0.0428 | 0.0275 | null | 0.0696 | 0.0643 | null | null | null | 1.029 | 1.074 | 1.074 | null | null | null | has coordinates | Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.
A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands
Acta Crystallographica Section C
54(5)
(1998)
601-603 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,212 | 8.9913 | 0.0005 | 13.1001 | 0.001 | 16.6041 | 0.001 | 90 | null | 90 | null | 90 | null | 1,955.7 | 0.2 | 293 | 1 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-deoxy-3epiryanodol | - C20 H32 O7 - | - C20 H32 O7 - | - C80 H128 O28 - | 4 | 1 | BS1023 | Drouin, Marc; Dodier, Marco; Ruest, Luc | 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 5 | 687 | 693 | 10.1107/S0108270197016843 | 1.54184 | CuKα | 0.0313 | 0.0304 | null | 0.0842 | 0.0832 | null | null | null | 1.052 | 1.059 | 1.059 | null | null | null | has coordinates,has Fobs | Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
54(5)
(1998)
687-693 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,213 | 8.914 | 0.0005 | 18.1678 | 0.0013 | 25.326 | 0.002 | 90 | null | 90 | null | 90 | null | 4,101.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | I 2 2 2 | I 2 2 | 23 | 2,3-dideoxy-2,3-dihydroryanodol | - C20 H35 O7.5 - | - C20 H34 O7.429 - | - C160 H272 O59.432 - | 8 | 1 | BS1023 | Drouin, Marc; Dodier, Marco; Ruest, Luc | 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 5 | 687 | 693 | 10.1107/S0108270197016843 | 1.54184 | CuKα | 0.043 | 0.039 | null | 0.108 | 0.1039 | null | null | null | 1.024 | 1.035 | 1.035 | null | null | null | has coordinates,has Fobs | Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
54(5)
(1998)
687-693 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,230,058 | 6.2629 | 0.0004 | 8.1515 | 0.0005 | 11.7761 | 0.0007 | 80.687 | 0.003 | 82.248 | 0.003 | 77.456 | 0.003 | 576 | 0.06 | 150 | null | 150 | null | null | null | null | null | 8 | P -1 | -P 1 | 2 | <i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate | - C14 H24 B2 Cl2 N2 O6 Pd S2 - | - C14 H24 B2 Cl2 N2 O6 Pd S2 - | - C14 H24 B2 Cl2 N2 O6 Pd S2 - | 1 | 0.5 | KP2316 | Duong, Adam; Wuest, James D.; Maris, Thierry | <i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m518 | 10.1107/S1600536811010713 | 1.54178 | CuKα | 0.0331 | 0.0308 | null | null | 0.081 | 0.0819 | null | null | null | null | null | 1.074 | null | null | has coordinates,has Fobs | Duong, Adam; Wuest, James D.; Maris, Thierry
<i>trans</i>-Dichloridobis[(pyridin-4-yl)boronic acid-κ<i>N</i>]palladium(II) dimethyl sulfoxide disolvate
Acta Crystallographica Section E
67(5)
(2011)
m518 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
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2,007,214 | 9.7509 | 0.0005 | 10.3005 | 0.0008 | 19.5609 | 0.0013 | 90 | null | 101.937 | 0.005 | 90 | null | 1,922.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C40 H56 O12 - | - C40 H56 O12 - | - C80 H112 O24 - | 2 | 1 | BS1023 | Drouin, Marc; Dodier, Marco; Ruest, Luc | 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 5 | 687 | 693 | 10.1107/S0108270197016843 | 0.71073 | Molybdenum | 0.0549 | 0.0379 | null | 0.0939 | 0.0829 | null | null | null | 1.036 | 1.082 | 1.082 | null | null | null | has coordinates,has Fobs | Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
54(5)
(1998)
687-693 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,215 | 10.321 | 0.003 | 13.917 | 0.005 | 29.196 | 0.004 | 90 | null | 90 | null | 90 | null | 4,194 | 2 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | cinnzeylanol | - C40 H74.3 O19.15 - | - C40 H64 O19.154 - | - C160 H256 O76.616 - | 4 | 1 | BS1023 | Drouin, Marc; Dodier, Marco; Ruest, Luc | 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 5 | 687 | 693 | 10.1107/S0108270197016843 | 0.71073 | MolybdenumKα | 0.0855 | 0.0617 | null | 0.1519 | 0.14 | null | null | null | 1.038 | 1.143 | 1.143 | null | null | null | has coordinates,has Fobs | Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
54(5)
(1998)
687-693 | 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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2,007,216 | 9.0121 | 0.001 | 18.08 | 0.004 | 25.476 | 0.003 | 90 | null | 90 | null | 90 | null | 4,151 | 1.1 | 293 | null | 293 | null | null | null | null | null | 3 | P 2 21 21 | P 2bc 2 | 18 | 2-deoxyryanodol | - C20 H34.5 O8.25 - | - C20 H34.5 O8.125 - | - C160 H276 O65 - | 8 | 2 | BS1023 | Drouin, Marc; Dodier, Marco; Ruest, Luc | 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives | Acta Crystallographica Section C | 1,998 | 54 | 5 | 687 | 693 | 10.1107/S0108270197016843 | 1.54184 | CopperKα | 0.0611 | 0.0553 | null | 0.1585 | 0.1509 | null | null | null | 1.041 | 1.075 | 1.075 | null | null | null | has coordinates | Drouin, Marc; Dodier, Marco; Ruest, Luc
3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
Acta Crystallographica Section C
54(5)
(1998)
687-693 | 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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2,007,217 | 12.178 | 0.003 | 13.885 | 0.003 | 7.143 | 0.003 | 90 | null | 90 | null | 90 | null | 1,207.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | Diaquacobalt Tetracyanonickelate Tetrahydrate | - C4 H12 Co N4 Ni O6 - | - C4 H12 Co N4 Ni O6 - | - C16 H48 Co4 N16 Ni4 O24 - | 4 | 0.5 | BS1042 | Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J. | Diaquacobalt Tetracyanonickelate Tetrahydrate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 565 | 567 | 10.1107/S0108270197018003 | 0.71073 | MoKα | 0.0463 | 0.0362 | null | 0.1069 | 0.1028 | null | null | null | 1.061 | 1.124 | 1.124 | null | null | null | has coordinates | Niu, Tianyan; Crisci, Gerardo; Lu, Jian; Jacobson, Allan J.
Diaquacobalt Tetracyanonickelate Tetrahydrate
Acta Crystallographica Section C
54(5)
(1998)
565-567 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,218 | 6.775 | 0.005 | 11.146 | 0.003 | 7.055 | 0.004 | 90 | null | 111.72 | 0.06 | 90 | null | 494.9 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 6,6'-dimethyl-2,2'-bipyridyl | 6,6'-dimethyl-2,2'-bipyridyl | - C12 H12 N2 - | - C12 H12 N2 - | - C24 H24 N4 - | 2 | 0.5 | CF1167 | Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D. | 6,6'-Dimethyl-2,2'-bipyridyl | Acta Crystallographica Section C | 1,998 | 54 | 5 | 661 | 662 | 10.1107/S0108270197019872 | 0.71069 | MoKα | 0.058 | 0.051 | null | 0.135 | 0.132 | null | null | null | 1.065 | 1.158 | 1.158 | null | null | null | has coordinates | Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D.
6,6'-Dimethyl-2,2'-bipyridyl
Acta Crystallographica Section C
54(5)
(1998)
661-662 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,057 | 8.0953 | 0.001 | 25.151 | 0.003 | 8.884 | 0.0011 | 90 | null | 98.01 | 0.001 | 90 | null | 1,791.2 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate | - C17 H20 N2 O5 S - | - C17 H20 N2 O5 S - | - C68 H80 N8 O20 S4 - | 4 | 1 | KP2315 | Huang, Miao-Ling; Lin, Zhi-Yang | 4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1062 | 10.1107/S1600536811011949 | 0.71073 | MoKα | 0.0546 | 0.0391 | null | null | 0.1008 | 0.1108 | null | null | null | null | null | 1.041 | null | null | has coordinates,has Fobs | Huang, Miao-Ling; Lin, Zhi-Yang
4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Acta Crystallographica Section E
67(5)
(2011)
o1062 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,007,219 | 6.704 | 0.001 | 10.156 | 0.002 | 13.321 | 0.002 | 91.09 | 0.02 | 95.49 | 0.02 | 108.24 | 0.02 | 856.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C22 H24 N2 O - | - C22 H24 N2 O - | - C44 H48 N4 O2 - | 2 | 1 | CF1201 | Chamontin, Karine; Lokshin, Vladimir; Guglielmetti, Robert; Samat, André; Pèpe, Gérard | 4-Methylspiro[4-azahomoadamantane-5,3'-[3'<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine], a New Photochromic Spirooxazine | Acta Crystallographica Section C | 1,998 | 54 | 5 | 670 | 672 | 10.1107/S0108270197017447 | 0.71069 | MoKα | 0.0444 | 0.0441 | null | 0.0888 | 0.0887 | null | null | null | 1.011 | 1.069 | 1.069 | null | null | null | has coordinates | Chamontin, Karine; Lokshin, Vladimir; Guglielmetti, Robert; Samat, André; Pèpe, Gérard
4-Methylspiro[4-azahomoadamantane-5,3'-[3'<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine], a New Photochromic Spirooxazine
Acta Crystallographica Section C
54(5)
(1998)
670-672 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,220 | 17.765 | 0.001 | 26.708 | 0.002 | 7.6153 | 0.0009 | 90 | null | 99.46 | 0.01 | 90 | null | 3,564.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H13 Fe K2 N6 O2.5 - | - C14 H13 Fe K2 N6 O2.5 - | - C112 H104 Fe8 K16 N48 O20 - | 8 | 2 | CF1210 | Nieuwenhuyzen, M.; Bertram, B.; Gallagher, J. F.; Vos, J. G. | Dipotassium (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')tetracyanoferrate(II) 2.5-Hydrate, K~2~[Fe(bpy)(CN)~4~].2.5H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 5 | 603 | 606 | 10.1107/S0108270197018039 | 0.71073 | MoKα | 0.086 | 0.045 | null | 0.11 | 0.093 | null | null | null | 1.049 | 1.121 | 1.121 | null | null | null | has coordinates | Nieuwenhuyzen, M.; Bertram, B.; Gallagher, J. F.; Vos, J. G.
Dipotassium (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')tetracyanoferrate(II) 2.5-Hydrate, K~2~[Fe(bpy)(CN)~4~].2.5H~2~O
Acta Crystallographica Section C
54(5)
(1998)
603-606 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,007,221 | 13.714 | 0.004 | 10.159 | 0.003 | 14.006 | 0.002 | 90 | null | 118.1 | 0.02 | 90 | null | 1,721.3 | 0.8 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 a 1 | P -2ya | 7 | dibromotriphenylantimony(V) | - C18 H15 Br2 Sb - | - C18 H15 Br2 Sb - | - C72 H60 Br8 Sb4 - | 4 | 2 | CF1211 | Webster, Michael | Dibromotriphenylantimony(V), a Second Polymorph | Acta Crystallographica Section C | 1,998 | 54 | 5 | 570 | 572 | 10.1107/S0108270197018040 | 0.71069 | MoKα | 0.088 | 0.051 | null | null | null | 0.148 | null | null | null | null | null | 1.04 | null | null | has coordinates | Webster, Michael
Dibromotriphenylantimony(V), a Second Polymorph
Acta Crystallographica Section C
54(5)
(1998)
570-572 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,222 | 14.435 | 0.002 | 18.025 | 0.002 | 8.5494 | 0.0009 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 2,224.5 | 0.5 | 293 | 2 | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Adenosine 5'-carboxylic acid | - C10 H11 N5 O5 - | - C10 H11 N5 O5 - | - C80 H88 N40 O40 - | 8 | 2 | DE1070 | G. Sreekanta Padiyar; T. P. Seshadri | Adenosine-5'-carboxylic Acid | Acta Crystallographica Section C | 1,998 | 54 | 5 | 647 | 649 | 10.1107/S0108270197017678 | 0.71067 | MoKα | 0.07 | 0.0379 | null | 0.1124 | 0.0975 | null | null | null | 1.023 | 1.081 | 1.081 | null | null | null | has coordinates | G. Sreekanta Padiyar; T. P. Seshadri
Adenosine-5'-carboxylic Acid
Acta Crystallographica Section C
54(5)
(1998)
647-649 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,223 | 13.102 | 0.003 | 11.57 | 0.002 | 19.345 | 0.003 | 90 | null | 101.126 | 0.012 | 90 | null | 2,877.4 | 0.9 | 170 | null | 170 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C52 H40 D6 N2 O19 P2 W6 - | - C52 H40 D6 N2 O19 P2 W6 - | - C104 H80 D12 N4 O38 P4 W12 - | 2 | 0.5 | FG1378 | Parvez, Masood; Boorman, P. Michael; Langdon, Naomi | Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 608 | 609 | 10.1107/S0108270197016946 | 0.71069 | MoKα | 0.122 | 0.035 | null | 0.028 | 0.022 | null | null | null | 1.22 | 1.31 | 1.31 | null | null | null | has coordinates | Parvez, Masood; Boorman, P. Michael; Langdon, Naomi
Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate
Acta Crystallographica Section C
54(5)
(1998)
608-609 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,224 | 11.598 | 0.001 | 10.959 | 0.001 | 12.148 | 0.001 | 90 | 0.01 | 117.41 | 0.01 | 90 | 0.01 | 1,370.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Crystal structures of three diphenylsulphones | - C14 H13 N O4 S - | - C14 H13 N O4 S - | - C56 H52 N4 O16 S4 - | 4 | 1 | FR1058 | Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R. | Three Diphenyl Sulfones | Acta Crystallographica Section C | 1,998 | 54 | 5 | 630 | 633 | 10.1107/S0108270197016831 | 1.54178 | CuKα | 0.0399 | 0.037 | null | 0.113 | 0.1079 | null | null | null | 0.613 | 0.611 | 0.611 | null | null | null | has coordinates | Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
Three Diphenyl Sulfones
Acta Crystallographica Section C
54(5)
(1998)
630-633 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007224.cif $
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2,230,056 | 25.621 | 0.005 | 9.886 | 0.002 | 9.874 | 0.002 | 90 | null | 97.32 | 0.03 | 90 | null | 2,480.6 | 0.9 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | <i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo- 1,3-thiazolidin-3-yl}acetate | - C24 H29 N3 O5 S - | - C24 H29 N3 O5 S - | - C96 H116 N12 O20 S4 - | 4 | 1 | KP2314 | Hu, Sixing; Liang, Guojuan; Fang, Dashu; Gan, Yongjun; Hu, Xiangnan | <i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1075 | 10.1107/S1600536811012177 | 0.71073 | MoKα | 0.1435 | 0.0611 | null | null | 0.1322 | 0.162 | null | null | null | null | null | 1.007 | null | null | has coordinates,has Fobs | Hu, Sixing; Liang, Guojuan; Fang, Dashu; Gan, Yongjun; Hu, Xiangnan
<i>rac</i>-<i>tert</i>-Butyl 2-{5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Acta Crystallographica Section E
67(5)
(2011)
o1075 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,225 | 20.339 | 0.007 | 11.024 | 0.004 | 15.22 | 0.007 | 90 | null | 126.8 | 0.02 | 90 | null | 2,733 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Crystal structures of three diphenylsulphones | - C15 H16 O2 S - | - C15 H16 O2 S - | - C120 H128 O16 S8 - | 8 | 1 | FR1058 | Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R. | Three Diphenyl Sulfones | Acta Crystallographica Section C | 1,998 | 54 | 5 | 630 | 633 | 10.1107/S0108270197016831 | 1.54178 | CuKα | 0.0508 | 0.045 | null | 0.133 | 0.1246 | null | null | null | 0.921 | 0.924 | 0.924 | null | null | null | has coordinates | Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
Three Diphenyl Sulfones
Acta Crystallographica Section C
54(5)
(1998)
630-633 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,226 | 12.36 | 0.005 | 8.246 | 0.004 | 11.615 | 0.007 | 90 | null | 103.74 | 0.03 | 90 | null | 1,149.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Crystal structures of three diphenylsulphones | - C13 H12 O2 S - | - C13 H12 O2 S - | - C52 H48 O8 S4 - | 4 | 1 | FR1058 | Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R. | Three Diphenyl Sulfones | Acta Crystallographica Section C | 1,998 | 54 | 5 | 630 | 633 | 10.1107/S0108270197016831 | 1.54178 | CuKα | 0.0585 | 0.0568 | null | 0.1623 | 0.1602 | null | null | null | 1.186 | 1.204 | 1.204 | null | null | null | has coordinates | Jeyakanthan, Jeyaraman; Velmurugan, D.; Panneerselvam, K.; Soriano-Garcia, Manuel; Perumal, S.; Chandrasekaran, R.
Three Diphenyl Sulfones
Acta Crystallographica Section C
54(5)
(1998)
630-633 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,227 | 6.1119 | 0.0012 | 11.047 | 0.002 | 6.7488 | 0.0013 | 90 | null | 101.23 | 0.03 | 90 | null | 446.94 | 0.15 | 208 | 2 | 208 | 2 | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | - C9 H6 O3 W - | - C9 H6 O3 W - | - C18 H12 O6 W2 - | 2 | 0.5 | FR1065 | Oh, Jane M.; Geib, Steven J.; Cooper, N. John | The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~] | Acta Crystallographica Section C | 1,998 | 54 | 5 | 581 | 583 | 10.1107/S0108270197009955 | 0.71073 | MoKα | 0.0283 | 0.0257 | null | 0.0738 | 0.0713 | null | null | null | 1.259 | 1.262 | 1.262 | null | null | null | has coordinates | Oh, Jane M.; Geib, Steven J.; Cooper, N. John
The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~]
Acta Crystallographica Section C
54(5)
(1998)
581-583 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,228 | 13.398 | 0.003 | 13.988 | 0.003 | 13.674 | 0.003 | 90 | null | 104.24 | 0.02 | 90 | null | 2,483.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | zinc(II)tepa bisperchlorate | - C21 H24 Cl2 N4 O8 Zn - | - C21 H24 Cl2 N4 O8 Zn - | - C84 H96 Cl8 N16 O32 Zn4 - | 4 | 1 | FR1069 | Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary | A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine | Acta Crystallographica Section C | 1,998 | 54 | 5 | 600 | 601 | 10.1107/S0108270197017733 | 1.54178 | CuKα | 0.0862 | 0.059 | null | 0.184 | 0.1505 | null | null | null | 1.142 | 1.086 | 1.086 | null | null | null | has coordinates,has Fobs | Xiaodong Xu; Craig S. Allen; Chang-lin Chuang; James W. Canary
A Tetrahedral Zinc(II) Complex of Tris(2-pyridylethyl)amine
Acta Crystallographica Section C
54(5)
(1998)
600-601 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,229 | 6.7611 | 0.0011 | 16.889 | 0.003 | 7.7713 | 0.0013 | 90 | null | 92.44 | 0.02 | 90 | null | 886.6 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-amino-3,5-dichloropyridinium chloride | - C5 H7 Cl3 N2 O - | - C5 H7 Cl3 N2 O - | - C20 H28 Cl12 N8 O4 - | 4 | 1 | FR1087 | Anagnostis, Jason; Turnbull, Mark M. | 2-Amino-3,5-dichloropyridinium Chloride Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 681 | 683 | 10.1107/S0108270197017344 | 0.71073 | MoKα | 0.0365 | 0.0281 | null | 0.0714 | 0.0692 | null | null | null | 0.958 | 1.028 | 1.028 | null | null | null | has coordinates | Anagnostis, Jason; Turnbull, Mark M.
2-Amino-3,5-dichloropyridinium Chloride Monohydrate
Acta Crystallographica Section C
54(5)
(1998)
681-683 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007229.cif $
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2,230,055 | 8.6347 | 0.0003 | 8.7663 | 0.0003 | 11.5155 | 0.0004 | 70.668 | 0.002 | 73.131 | 0.002 | 72.679 | 0.002 | 767.24 | 0.05 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate | - C15 H16 Cl N3 O4 - | - C15 H16 Cl N3 O4 - | - C30 H32 Cl2 N6 O8 - | 2 | 1 | KJ2175 | Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu | 3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1224 | 10.1107/S1600536811014735 | 0.71073 | MoKα | 0.0526 | 0.0384 | null | null | 0.103 | 0.1111 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu
3-(2,6-Dimethylanilino)imidazo[1,2-<i>a</i>]pyridin-1-ium perchlorate
Acta Crystallographica Section E
67(5)
(2011)
o1224 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,230 | 10.855 | 0.001 | 16.045 | 0.002 | 10.516 | 0.002 | 90 | null | 90 | null | 90 | null | 1,831.6 | 0.4 | 295 | null | 295 | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - C18 H33 Cl Si - | - C18 H33 Cl Si - | - C72 H132 Cl4 Si4 - | 4 | 0.5 | FR1098 | Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R. | Chlorotricyclohexylsilane, C~18~H~33~ClSi | Acta Crystallographica Section C | 1,998 | 54 | 5 | 694 | 695 | 10.1107/S0108270197017745 | 0.71073 | MoKα | 0.048 | 0.043 | null | 0.077 | 0.073 | null | null | null | 1.43 | 1.47 | 1.47 | null | null | null | has coordinates,has Fobs | Lindfors, Britt E.; Male, Jonathan L.; Tyler, David R.; Weakley, Timothy J.R.
Chlorotricyclohexylsilane, C~18~H~33~ClSi
Acta Crystallographica Section C
54(5)
(1998)
694-695 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,231 | 19.037 | 0.006 | 9.548 | 0.003 | 12.089 | 0.004 | 90 | null | 90 | null | 90 | null | 2,197.4 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c n | -P 2n 2ab | 60 | FULGID-1 | 2,3-diphenylbenzylidenesuccinic anhydride | - C30 H20 O3 - | - C30 H20 O3 - | - C120 H80 O12 - | 4 | 0.5 | HA1200 | Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark | 2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III) | Acta Crystallographica Section C | 1,998 | 54 | 5 | 683 | 687 | 10.1107/S0108270197018441 | 0.71069 | MoKα | 0.1608 | 0.0868 | null | 0.313 | 0.1742 | null | null | null | 0.97 | 1.104 | 1.104 | null | null | null | has coordinates | Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Acta Crystallographica Section C
54(5)
(1998... | 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/2/00/72/2007231.cif $
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2,007,232 | 11.939 | 0.003 | 10.251 | 0.003 | 8.731 | 0.002 | 100.45 | 0.02 | 100.32 | 0.02 | 67.65 | 0.02 | 964.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | FULGID-2 | 2-fluorenylidene,3-(adamantylidene)succinic anhydride | - C27 H22 O3 - | - C27 H22 O3 - | - C54 H44 O6 - | 2 | 1 | HA1200 | Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark | 2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III) | Acta Crystallographica Section C | 1,998 | 54 | 5 | 683 | 687 | 10.1107/S0108270197018441 | 0.71069 | MoKα | 0.1505 | 0.0783 | null | 0.2773 | 0.1725 | null | null | null | 0.238 | 0.228 | 0.228 | null | null | null | has coordinates | Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Acta Crystallographica Section C
54(5)
(1998... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007232.cif $
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2,230,054 | 14.556 | 0.003 | 6.7607 | 0.0014 | 17.085 | 0.003 | 90 | null | 101.63 | 0.03 | 90 | null | 1,646.8 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | bis[μ-(<i>E</i>)-2-({2-[4- (dimethylamino)benzoyl]hydrazinylidene}methyl)phenolato]bis[formatozinc] | - C34 H34 N6 O8 Zn2 - | - C34 H34 N6 O8 Zn2 - | - C68 H68 N12 O16 Zn4 - | 2 | 0.5 | JJ2088 | Ma, Jie; Fan, Wei-Zhen; Lin, Li-Rong | A dinuclear zinc complex with (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide | Acta Crystallographica Section E | 2,011 | 67 | 5 | m624 | m625 | 10.1107/S1600536811014462 | 0.71073 | MoKα | 0.0363 | 0.0282 | null | null | 0.0732 | 0.0774 | null | null | null | null | null | 1.072 | null | null | has coordinates,has Fobs | Ma, Jie; Fan, Wei-Zhen; Lin, Li-Rong
A dinuclear zinc complex with (<i>E</i>)-4-dimethylamino-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide
Acta Crystallographica Section E
67(5)
(2011)
m624-m625 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,007,233 | 10.2498 | 0.001 | 12.586 | 0.003 | 8.189 | 0.004 | 96.51 | null | 87.9 | null | 93.5 | null | 1,047.2 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | FULGID-3 | 2-fluorenylidene,3-(3,4,5-trimethoxybenzylidene) succinic anhydride | - C27 H20 O6 - | - C27 H20 O6 - | - C54 H40 O12 - | 2 | 1 | HA1200 | Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark | 2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III) | Acta Crystallographica Section C | 1,998 | 54 | 5 | 683 | 687 | 10.1107/S0108270197018441 | 0.71093 | MoKα | 0.1268 | 0.0886 | null | 0.2587 | 0.2019 | null | null | null | 0.394 | 0.41 | 0.41 | null | null | null | has coordinates | Kaftory, Menahem; Goldberg, Yulia; Goldberg, Stephen, Z.; Botoshansky, Mark
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Acta Crystallographica Section C
54(5)
(1998... | 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/2/00/72/2007233.cif $
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2,007,234 | 21.2245 | 0.0011 | 21.2245 | 0.0011 | 21.2245 | 0.0011 | 90 | null | 90 | null | 90 | null | 9,561.2 | 0.9 | 250 | 2 | 250 | 2 | null | null | null | null | 5 | P 21 3 | P 2ac 2ab 3 | 198 | Disodium bis(methyl-α-D-mannopyranosidato(3-)) 5/3-bismutate(III) hydroxide dodecahydrate | - C14 H47 Bi1.6667 Na2 O25 - | - C14 H22.6667 Bi1.66667 Na2 O25.0467 - | - C168 H272 Bi20 Na24 O300.56 - | 12 | 1 | JZ1224 | Klüfers, Peter; Mayer, Peter | Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex | Acta Crystallographica Section C | 1,998 | 54 | 5 | 583 | 586 | 10.1107/S0108270197011050 | 0.71073 | MoKa | 0.026 | 0.022 | null | 0.043 | 0.042 | null | null | null | 0.983 | 1.006 | 1.006 | null | null | null | has coordinates | Klüfers, Peter; Mayer, Peter
Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex
Acta Crystallographica Section C
54(5)
(1998)
583-586 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,235 | 8.9033 | 0.0008 | 6.3 | 0.003 | 10.717 | 0.002 | 90 | null | 102.614 | 0.013 | 90 | null | 586.6 | 0.3 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | β-Sodium succinate hexahydrate | - C4 H16 Na2 O10 - | - C4 H16 Na2 O10 - | - C8 H32 Na4 O20 - | 2 | 0.5 | JZ1231 | Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía | A New Phase of Sodium Succinate Hexahydrate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 578 | 580 | 10.1107/S0108270197017393 | 0.71069 | MoKα | 0.0404 | 0.0289 | null | 0.1076 | 0.0746 | null | null | null | 1.059 | 1.08 | 1.08 | null | null | null | has coordinates,has disorder | Montserrat, Noemí; Virtudes Moreno; Xavier Solans; Mercé Font-Bardía
A New Phase of Sodium Succinate Hexahydrate
Acta Crystallographica Section C
54(5)
(1998)
578-580 | 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/2/00/72/2007235.cif $
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2,007,236 | 11.085 | 0.003 | 7.7168 | 0.0006 | 13.006 | 0.002 | 90 | null | 99.97 | 0.02 | 90 | null | 1,095.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester | - C9 H11 N5 O3 - | - C9 H11 N5 O3 - | - C36 H44 N20 O12 - | 4 | 1 | JZ1235 | Sood, Geeta; Schwalbe, Carl H.; Fraser, William | 6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester | Acta Crystallographica Section C | 1,998 | 54 | 5 | 659 | 661 | 10.1107/S0108270197015795 | 1.54178 | CuKα | 0.041 | 0.038 | null | 0.101 | 0.1 | null | null | null | 1.381 | 1.408 | 1.408 | null | null | null | has coordinates | Sood, Geeta; Schwalbe, Carl H.; Fraser, William
6-Amino-9-(carboxymethyl)-2-methoxypurine Methyl Ester
Acta Crystallographica Section C
54(5)
(1998)
659-661 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007236.cif $
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2,230,053 | 12.3911 | 0.0013 | 14.7125 | 0.0016 | 10.2966 | 0.0011 | 90 | null | 104.125 | 0.002 | 90 | null | 1,820.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate | 5-phenyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)disulfanyl]-1H-1,2,4-triazole dihydrate | - C16 H16 N6 O2 S2 - | - C16 H16 N6 O2 S2 - | - C64 H64 N24 O8 S8 - | 4 | 0.5 | JJ2087 | Zhu, Ai-Xin; Liu, Jun-Na; Li, Zhen; Wang, Hong-Can; Du, Yuan-Chao | Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1208 | 10.1107/S1600536811014607 | 0.71073 | MoKα | 0.0473 | 0.0416 | null | null | 0.1147 | 0.1198 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Zhu, Ai-Xin; Liu, Jun-Na; Li, Zhen; Wang, Hong-Can; Du, Yuan-Chao
Bis(5-phenyl-1<i>H</i>-1,2,4-triazol-3-yl) disulfide dihydrate
Acta Crystallographica Section E
67(5)
(2011)
o1208 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,237 | 9.2753 | 0.0006 | 11.3756 | 0.0008 | 21.72 | 0.002 | 90 | null | 90 | null | 90 | null | 2,291.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C m c m | -C 2c 2 | 63 | Bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol) Copper(II) Dichloride Tetrahydrate | - C12 H38 Cl2 Cu N6 O10 - | - C12 H38 Cl2 Cu N6 O10 - | - C48 H152 Cl8 Cu4 N24 O40 - | 4 | 0.25 | JZ1250 | Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert | Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 614 | 616 | 10.1107/S0108270197018131 | 0.71073 | MoKα | 0.0485 | 0.0273 | null | null | null | 0.0586 | null | null | null | null | null | 1.045 | null | null | has coordinates | Guido J. Reiß; Walter Frank; Kaspar Hegetschweiler; Dirk Kuppert
Bis(1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol-κ^3^<i>N</i>)copper(II) Dichloride Tetrahydrate
Acta Crystallographica Section C
54(5)
(1998)
614-616 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,238 | 7.4845 | 0.0009 | 10.4936 | 0.001 | 6.2217 | 0.0005 | 90 | null | 90 | null | 90 | null | 488.65 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I m m a | -I 2b 2 | 74 | lithium hexafluoro arsenate monohydrate | - As F6 H2 Li O - | - As F6 H2 Li O - | - As4 F24 H8 Li4 O4 - | 4 | 0.25 | JZ1259 | Loss, Sandra; Röhr, Caroline | Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 5 | 567 | 569 | 10.1107/S0108270197015497 | 0.7107 | MoKα | 0.0381 | 0.021 | null | 0.0558 | 0.0507 | null | null | null | 1.085 | 1.122 | 1.122 | null | null | null | has coordinates | Loss, Sandra; Röhr, Caroline
Lithium Hexafluoroarsenate Monohydrate, LiAsF~6~.H~2~O
Acta Crystallographica Section C
54(5)
(1998)
567-569 | 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/2/00/72/2007238.cif $
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2,007,239 | 8.107 | 0.003 | 8.53 | 0.003 | 7.339 | 0.003 | 90.11 | 0.03 | 98.44 | 0.03 | 94.859 | 0.003 | 500.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Crystal structure of 2,4 dichlorophenyloxy acetyl hydrazine | - C8 H8 Cl2 N2 O2 - | - C8 H8 Cl2 N2 O2 - | - C16 H16 Cl4 N4 O4 - | 2 | 1 | KA1248 | Lokanath, N.K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nagaraja, H.S.; Mohan Rao, P. | (2,4-Dichlorophenoxy)acetohydrazide | Acta Crystallographica Section C | 1,998 | 54 | 5 | 669 | 670 | 10.1107/S0108270197018416 | 0.71069 | MoKα | 0.0603 | 0.0439 | null | 0.1539 | 0.1326 | null | null | null | 1.166 | 1.22 | 1.22 | null | null | null | has coordinates | Lokanath, N.K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nagaraja, H.S.; Mohan Rao, P.
(2,4-Dichlorophenoxy)acetohydrazide
Acta Crystallographica Section C
54(5)
(1998)
669-670 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,240 | 4.644 | 0.003 | 16.559 | 0.005 | 7.007 | 0.003 | 90 | null | 94.19 | 0.04 | 90 | null | 537.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,2'-bibenzoxazole | - C14 H8 N2 O2 - | - C14 H8 N2 O2 - | - C28 H16 N4 O4 - | 2 | 0.5 | KA1251 | F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger | 2,2'-Bibenzoxazole | Acta Crystallographica Section C | 1,998 | 54 | 5 | 668 | 669 | 10.1107/S0108270197018143 | 0.71073 | MoKα | 0.0533 | 0.0444 | null | null | null | 0.1328 | null | null | null | null | null | 1.084 | null | null | has coordinates | F. Ekkehardt Hahn; Lutz Imhof; Thomas Lügger
2,2'-Bibenzoxazole
Acta Crystallographica Section C
54(5)
(1998)
668-669 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007240.cif $
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2,007,241 | 7.1513 | 0.0006 | 8.2054 | 0.0006 | 8.3385 | 0.0006 | 117.264 | 0.006 | 96.049 | 0.006 | 100.497 | 0.006 | 417.56 | 0.06 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Ammonium saccharin | Ammonium o-sulfobenzoimide | - C7 H8 N2 O3 S - | - C7 H8 N2 O3 S - | - C14 H16 N4 O6 S2 - | 2 | 1 | KA1255 | Ng, Seik Weng | Ammonium Saccharin | Acta Crystallographica Section C | 1,998 | 54 | 5 | 649 | 651 | 10.1107/S0108270197014868 | 0.71073 | MoKα | 0.037 | 0.033 | null | 0.101 | 0.097 | null | null | null | 1.067 | 1.083 | 1.083 | null | null | null | has coordinates | Ng, Seik Weng
Ammonium Saccharin
Acta Crystallographica Section C
54(5)
(1998)
649-651 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,242 | 7.855 | 0.002 | 9.982 | 0.002 | 11.589 | 0.002 | 90 | null | 90 | null | 90 | null | 908.7 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Phenyl-2-pyridylketone | - C12 H9 N O - | - C12 H9 N O - | - C48 H36 N4 O4 - | 4 | 1 | LN1015 | Sievert, Mark; Dienelt, Ruediger; Bock, Hans | Phenyl 2-Pyridyl Ketone at 150K | Acta Crystallographica Section C | 1,998 | 54 | 5 | 674 | 676 | 10.1107/S0108270197017940 | 0.71073 | MoKα | 0.0441 | 0.0373 | null | 0.106 | 0.0968 | null | null | null | 1.036 | 1.028 | 1.028 | null | null | null | has coordinates | Sievert, Mark; Dienelt, Ruediger; Bock, Hans
Phenyl 2-Pyridyl Ketone at 150K
Acta Crystallographica Section C
54(5)
(1998)
674-676 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,243 | 7.655 | 0.002 | 10.867 | 0.002 | 12.082 | 0.002 | 103.44 | 0.02 | 102.75 | 0.02 | 105.89 | 0.02 | 895.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Triiodide | - C24 H22 I6 S6 - | - C24 H22 I6 S6 - | - C24 H22 I6 S6 - | 1 | 0.5 | LN1043 | Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert | 1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 679 | 681 | 10.1107/S010827019701768X | 0.71073 | MoKα | 0.1005 | 0.0346 | null | 0.1007 | 0.0819 | null | null | null | 1.006 | 1.087 | 1.087 | null | null | null | has coordinates | Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert
1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate
Acta Crystallographica Section C
5... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$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/2/00/72/2007243.cif $
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2,230,052 | 9.7327 | 0.0004 | 17.2187 | 0.0006 | 12.1303 | 0.0004 | 90 | null | 100.045 | 0.002 | 90 | null | 2,001.69 | 0.13 | 116 | 2 | 116 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2- ylidene)ethylidene]cyclohexanone | - C23 H31 N O - | - C23 H31 N O - | - C92 H124 N4 O4 - | 4 | 1 | JJ2085 | Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J. | 4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1210 | 10.1107/S1600536811014590 | 0.71073 | MoKα | 0.0617 | 0.0496 | null | null | 0.1264 | 0.1339 | null | null | null | null | null | 1.046 | null | null | has coordinates,has disorder,has Fobs | Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.
4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexanone
Acta Crystallographica Section E
67(5)
(2011)
o1210 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230052.cif $
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2,007,244 | 11.087 | 0.005 | 10.4329 | 0.001 | 14.325 | 0.009 | 90 | null | 104.32 | 0.02 | 90 | null | 1,605.5 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Bis(4-methoxylphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene) ethane Perchlorate | - C26 H26 Cl2 O10 S6 - | - C26 H26 Cl2 O10 S6 - | - C52 H52 Cl4 O20 S12 - | 2 | 0.5 | LN1043 | Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert | 1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate | Acta Crystallographica Section C | 1,998 | 54 | 5 | 679 | 681 | 10.1107/S010827019701768X | 0.71073 | MoKα | 0.0697 | 0.0384 | null | 0.1096 | 0.0948 | null | null | null | 1.019 | 1.053 | 1.053 | null | null | null | has coordinates | Rimbaud, Christian; Le Magueres, Pierre; Ouahab, Lahcene; Lorcy, Dominique; Robert, Albert
1,2-Bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)-1,2-diphenylethane Bis(triiodide) and 1,2-Bis(4-methoxyphenyl)-1,2-bis(5-methyl-4-methylthio-1,3-dithiolium-2-ylidene)ethane Diperchlorate
Acta Crystallographica Section C
5... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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