file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,010,761 | 13.9691 | 0.001 | 13.9691 | 0.001 | 32.39 | 0.003 | 90 | null | 90 | null | 120 | null | 5,473.7 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | R -3 :H | -R 3 | 148 | Hexakis(antipyrine-O)terbium(III) triperchlorate | - C66 H72 Cl3 N12 O18 Tb - | - C66 H72 Cl3 N12 O18 Tb - | - C198 H216 Cl9 N36 O54 Tb3 - | 3 | 0.166667 | QB0180 | Su, Cheng-Yong; Yang, Xiao-Ping; Xu, An-Wu; Zhang, Ze-Fu; Liu, Hong-Ke; Kang, Bei-Sheng | Hexakis(antipyrine-<i>O</i>)terbium(III) triperchlorate | Acta Crystallographica Section C | 2,000 | 56 | 3 | e82 | e83 | 10.1107/S0108270100002298 | 0.71073 | MoKα | 0.046 | 0.045 | null | null | null | 0.11 | null | null | null | null | null | 1.042 | null | null | has coordinates,has Fobs | Su, Cheng-Yong; Yang, Xiao-Ping; Xu, An-Wu; Zhang, Ze-Fu; Liu, Hong-Ke; Kang, Bei-Sheng
Hexakis(antipyrine-<i>O</i>)terbium(III) triperchlorate
Acta Crystallographica Section C
56(3)
(2000)
e82-e83 | 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/2/01/07/2010761.cif $
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2,010,762 | 19.608 | 0.004 | 4.786 | 0.002 | 20.461 | 0.006 | 90 | null | 97.91 | 0.02 | 90 | null | 1,901.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | caulerpin | Dimethyl-6,13-dihydrodibenzo[b,i]phenazine-5,12-dicarboxylate | - C24 H18 N2 O4 - | - C24 H18 N2 O4 - | - C96 H72 N8 O16 - | 4 | 0.5 | QB0181 | Parvez, Masood; Ara, Jehan; Sultana, Viqar; Qasim, Rashida; Ahmad, Viqar Uddin | Caulerpin | Acta Crystallographica Section C | 2,000 | 56 | 3 | e96 | e97 | 10.1107/S0108270100001529 | 0.71069 | MoKα | 0.118 | 0.049 | null | null | null | 0.232 | null | null | null | null | null | 1.19 | null | null | has coordinates,has Fobs | Parvez, Masood; Ara, Jehan; Sultana, Viqar; Qasim, Rashida; Ahmad, Viqar Uddin
Caulerpin
Acta Crystallographica Section C
56(3)
(2000)
e96-e97 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,763 | 7.3275 | 0.0001 | 7.6321 | 0.0002 | 12.6379 | 0.0004 | 95.809 | 0.002 | 96.991 | 0.001 | 92.244 | 0.002 | 696.96 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(N,N-dimethylthiocarbamoylthio)acetic acid | - C8 H14 N2 O2 S4 - | - C8 H14 N2 O2 S4 - | - C16 H28 N4 O4 S8 - | 2 | 1 | QB0182 | Muniandy, Suresh; Low, Kum Sang; Naumov, Pance; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Ng, Seik Weng | Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetic acid | Acta Crystallographica Section C | 2,000 | 56 | 3 | e113 | e114 | 10.1107/S0108270100002511 | 0.71073 | MoKα | 0.073 | 0.053 | null | null | null | 0.139 | null | null | null | null | null | 0.946 | null | null | has coordinates | Muniandy, Suresh; Low, Kum Sang; Naumov, Pance; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Ng, Seik Weng
Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetic acid
Acta Crystallographica Section C
56(3)
(2000)
e113-e114 | 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/2/01/07/2010763.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,764 | 7.251 | 0.001 | 28.761 | 0.003 | 9.635 | 0.001 | 90 | null | 90 | null | 90 | null | 2,009.3 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | Bis[(bis-2-hydroxyethyl)dithiocarbamato]dimethyltin(IV) | - C12 H26 N2 O4 S4 Sn - | - C12 H26 N2 O4 S4 Sn - | - C48 H104 N8 O16 S16 Sn4 - | 4 | 0.5 | QB0183 | Yang Farina, A. Aziz; Othman, Abdul Hamid; Baba, Ibrahim; Sivakumar, K.; Fun, Hoong-Kun; Ng, Seik Weng | Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato]dimethyltin(IV) | Acta Crystallographica Section C | 2,000 | 56 | 3 | e84 | e85 | 10.1107/S0108270100002407 | 0.71073 | MoKα | 0.035 | 0.027 | null | null | null | 0.073 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Yang Farina, A. Aziz; Othman, Abdul Hamid; Baba, Ibrahim; Sivakumar, K.; Fun, Hoong-Kun; Ng, Seik Weng
Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato]dimethyltin(IV)
Acta Crystallographica Section C
56(3)
(2000)
e84-e85 | 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/2/01/07/2010764.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,765 | 10.155 | 0.003 | 15.638 | 0.005 | 20.102 | 0.006 | 90 | null | 104.56 | 0.01 | 90 | null | 3,089.8 | 1.6 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Bis(dicyclohexylammonium) adipate monohydrate | - C30 H58 N2 O5 - | - C30 H58 N2 O5 - | - C120 H232 N8 O20 - | 4 | 0.5 | QB0184 | Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng | Bis(dicyclohexylammonium) adipate monohydrate | Acta Crystallographica Section C | 2,000 | 56 | 3 | e111 | e112 | 10.1107/S0108270100002419 | 0.71073 | MoKα | 0.125 | 0.059 | null | null | null | 0.159 | null | null | null | null | null | 0.977 | null | null | has coordinates,has Fobs | Yang, Yang-Yi; Chen, Xiao-Ming; Ng, Seik Weng
Bis(dicyclohexylammonium) adipate monohydrate
Acta Crystallographica Section C
56(3)
(2000)
e111-e112 | 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/2/01/07/2010765.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,766 | 11.2608 | 0.0006 | 13.0527 | 0.0005 | 14.6607 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,154.89 | 0.17 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Triphenyltin 3-ureidopropionate | Catena-poly[triphenyltin-μu-(3-ureidopropionato-O:O')] | - C22 H22 N2 O3 Sn - | - C22 H22 N2 O3 Sn - | - C88 H88 N8 O12 Sn4 - | 4 | 1 | QB0186 | Ng, Seik Weng | Orthorhombic modification of triphenyltin 3-ureidopropionate | Acta Crystallographica Section C | 2,000 | 56 | 3 | e86 | e87 | 10.1107/S0108270100002432 | 0.71073 | MoKα | 0.044 | 0.034 | null | null | null | 0.077 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Ng, Seik Weng
Orthorhombic modification of triphenyltin 3-ureidopropionate
Acta Crystallographica Section C
56(3)
(2000)
e86-e87 | 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/2/01/07/2010766.cif $
#-------------------------------------------------------------------... | |||||||||
2,010,767 | 17.7426 | 0.0009 | 15.5402 | 0.0006 | 19.8147 | 0.001 | 90 | null | 104.279 | 0.002 | 90 | null | 5,294.6 | 0.4 | 127 | 2 | 127 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C55 H76 O11 - | - C55 H76 O11 - | - C220 H304 O44 - | 4 | 1 | SK1335 | Thuéry, Pierre; Nierlich, Martine; Asfari, Zouhair; Vicens, Jacques | 5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-bis(carboxymethoxy)-26,28-bis(2-methoxyethoxy)calix[4]arene–methanol (1/1) | Acta Crystallographica Section C | 2,000 | 56 | 3 | 343 | 344 | 10.1107/S010827019901522X | 0.71073 | MoKα | 0.101 | 0.055 | null | null | null | 0.138 | null | null | null | null | null | 1.009 | null | null | has coordinates,has Fobs | Thuéry, Pierre; Nierlich, Martine; Asfari, Zouhair; Vicens, Jacques
5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-bis(carboxymethoxy)-26,28-bis(2-methoxyethoxy)calix[4]arene–methanol (1/1)
Acta Crystallographica Section C
56(3)
(2000)
343-344 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010767.cif $
#-------------------------------------------------------------------... | |||||||||||
2,010,768 | 8.752 | 0.002 | 10.525 | 0.005 | 20.619 | 0.005 | 90 | null | 90 | null | 90 | null | 1,899.3 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one | - C10 H9 N3 O - | - C10 H9 N3 O - | - C80 H72 N24 O8 - | 8 | 1 | SK1336 | Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita | 5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one | Acta Crystallographica Section C | 2,000 | 56 | 3 | 345 | 346 | 10.1107/S0108270199015231 | 1.54178 | CuKα | 0.043 | 0.038 | null | null | null | 0.104 | null | null | 1.1 | null | null | 1.1 | null | null | has coordinates,has Fobs | Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita
5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one
Acta Crystallographica Section C
56(3)
(2000)
345-346 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010768.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,769 | 9.2597 | 0.0002 | 14.5473 | 0.0003 | 13.9263 | 0.0002 | 90 | null | 90.726 | 0.001 | 90 | null | 1,875.77 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis[bis(diethylenetriamine)Zinc(II)] ferrocyanide tetrahydrate [Zn(dien)~2~]~2~Fe(CN)~6~. 4H~2~O, (dien = diethylenetriamine, NH~2~CH=CHNHCH=CHNH~2~) | - C22 H60 Fe N18 O4 Zn2 - | - C22 H60 Fe N18 O4 Zn2 - | - C44 H120 Fe2 N36 O8 Zn4 - | 2 | 0.5 | SK1341 | Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Tong, Ye-Xiang; Lu, Zhong-Lin; Kang, Bei-Sheng | Bis[bis(diethylenetriamine)zinc(II)] hexacyanoferrate tetrahydrate | Acta Crystallographica Section C | 2,000 | 56 | 3 | 291 | 292 | 10.1107/S0108270199015176 | 0.71073 | MoKα | 0.039 | 0.028 | null | null | null | 0.069 | null | null | null | null | null | 1.07 | null | null | has coordinates,has Fobs | Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Tong, Ye-Xiang; Lu, Zhong-Lin; Kang, Bei-Sheng
Bis[bis(diethylenetriamine)zinc(II)] hexacyanoferrate tetrahydrate
Acta Crystallographica Section C
56(3)
(2000)
291-292 | 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/2/01/07/2010769.cif $
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2,010,770 | 6.758 | 0.001 | 8.844 | 0.001 | 7.075 | 0.002 | 90 | null | 93.5 | 0.01 | 90 | null | 422.07 | 0.14 | 183 | null | null | null | null | null | null | null | Synthetic | 3 | P 1 21/c 1 | -P 2ybc | 14 | metaboric acid, β-phase | Clinometaborite | - B H O2 - | - B H O2 - | - B12 H12 O24 - | 12 | 3 | SK1343 | Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen | The monoclinic and cubic phases of metaboric acid (precise redeterminations) | Acta Crystallographica Section C | 2,000 | 56 | 3 | 276 | 278 | 10.1107/S0108270199016042 | 0.71073 | MoKα | null | 0.0309 | null | null | null | 0.0872 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen
The monoclinic and cubic phases of metaboric acid (precise redeterminations)
Acta Crystallographica Section C
56(3)
(2000)
276-278 | 282,068 | 2023-03-26 | 10:12:03 | #------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010770.cif $
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2,010,771 | 8.8811 | 0.0003 | 8.8811 | 0.0003 | 8.8811 | 0.0003 | 90 | null | 90 | null | 90 | null | 700.49 | 0.04 | 183 | null | null | null | null | null | null | null | Synthetic | 3 | P -4 3 n | P -4n 2 3 | 218 | metaboric acid, γ-phase | Metaborite | - B H O2 - | - B H O2 - | - B24 H24 O48 - | 24 | 1 | SK1343 | Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen | The monoclinic and cubic phases of metaboric acid (precise redeterminations) | Acta Crystallographica Section C | 2,000 | 56 | 3 | 276 | 278 | 10.1107/S0108270199016042 | 0.71073 | MoKα | null | 0.019 | null | null | null | 0.0445 | null | null | null | null | null | 1.015 | null | null | has coordinates,has Fobs | Freyhardt, Clemens C.; Wiebcke, Michael; Felsche, Jürgen
The monoclinic and cubic phases of metaboric acid (precise redeterminations)
Acta Crystallographica Section C
56(3)
(2000)
276-278 | 282,068 | 2023-03-26 | 10:12:03 | #------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010771.cif $
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2,010,772 | 17.7759 | 0.0003 | 9.0661 | 0.0002 | 23.5939 | 0.0003 | 90 | null | 90 | null | 90 | null | 3,802.35 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | N-benzyl-2'-iodocinnamanilide | - C22 H18 I N O - | - C22 H18 I N O - | - C176 H144 I8 N8 O8 - | 8 | 1 | SK1348 | Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun | <i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide | Acta Crystallographica Section C | 2,000 | 56 | 3 | 349 | 350 | 10.1107/S0108270199015243 | 0.71073 | MoKα | 0.127 | 0.059 | null | null | null | 0.095 | null | null | null | null | null | 1.091 | null | null | has coordinates,has Fobs | Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide
Acta Crystallographica Section C
56(3)
(2000)
349-350 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010772.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,773 | 10.815 | 0.0002 | 11.3607 | 0.0002 | 20.2477 | 0.0005 | 90 | null | 91.271 | 0.001 | 90 | null | 2,487.14 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | N-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide | - C29 H24 I N O - | - C29 H24 I N O - | - C116 H96 I4 N4 O4 - | 4 | 1 | SK1348 | Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun | <i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide | Acta Crystallographica Section C | 2,000 | 56 | 3 | 349 | 350 | 10.1107/S0108270199015243 | 0.71073 | MoKα | 0.158 | 0.057 | null | null | null | 0.102 | null | null | null | null | null | 0.958 | null | null | has coordinates,has Fobs | Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide
Acta Crystallographica Section C
56(3)
(2000)
349-350 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010773.cif $
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2,010,774 | 11.724 | 0.005 | 10.911 | 0.004 | 14.218 | 0.006 | 90 | null | 113.11 | 0.04 | 90 | null | 1,672.8 | 1.3 | 180 | 1 | 180 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4- b]quinoline-1,8-dione | - C19 H18 Br N O3 - | - C19 H18 Br N O3 - | - C76 H72 Br4 N4 O12 - | 4 | 1 | SK1350 | Şimşek, Rahime; Linden, Anthony; Şafak, Cihat | (±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-<i>b</i>]quinoline-1,8-dione | Acta Crystallographica Section C | 2,000 | 56 | 3 | 351 | 353 | 10.1107/S0108270199015255 | 0.71069 | MoKα | 0.16 | 0.059 | null | null | null | 0.165 | null | null | null | null | null | 0.967 | null | null | has coordinates,has Fobs | Şimşek, Rahime; Linden, Anthony; Şafak, Cihat
(±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-<i>b</i>]quinoline-1,8-dione
Acta Crystallographica Section C
56(3)
(2000)
351-353 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010774.cif $
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2,010,775 | 3.974 | 0.003 | 9.164 | 0.008 | 19.172 | 0.006 | 90 | null | 90 | null | 90 | null | 698.2 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2-bromo-5-hydroxybenzaldehyde | - C7 H5 Br O2 - | - C7 H5 Br O2 - | - C28 H20 Br4 O8 - | 4 | 1 | SK1352 | Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d'A. Rocha Gonsalves, A. M.; Serra, A. C. | 2-Bromo-5-hydroxybenzaldehyde | Acta Crystallographica Section C | 2,000 | 56 | 3 | 354 | 355 | 10.1107/S0108270199015267 | 0.71073 | MoKα | 0.0575 | 0.0227 | null | null | null | 0.0509 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d'A. Rocha Gonsalves, A. M.; Serra, A. C.
2-Bromo-5-hydroxybenzaldehyde
Acta Crystallographica Section C
56(3)
(2000)
354-355 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010775.cif $
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2,010,776 | 5.553 | 0.001 | 12.34 | 0.001 | 20.875 | 0.002 | 90 | null | 90 | null | 90 | null | 1,430.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Costuslactone-B | 3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[1,2-b]furan-2,9-dione | - C15 H20 O3 - | - C15 H20 O3 - | - C60 H80 O12 - | 4 | 1 | TA1253 | Wang, Qiguang; Zhou, Baofan; Zhai, Jianjun | Costuslactone B | Acta Crystallographica Section C | 2,000 | 56 | 3 | 369 | 370 | 10.1107/S0108270199015723 | 0.71073 | MoKα | 0.033 | 0.031 | null | null | null | 0.137 | null | null | null | null | null | 1.239 | null | null | has coordinates,has Fobs | Wang, Qiguang; Zhou, Baofan; Zhai, Jianjun
Costuslactone B
Acta Crystallographica Section C
56(3)
(2000)
369-370 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010776.cif $
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2,010,777 | 11.382 | 0.005 | 12.162 | 0.004 | 15.855 | 0.007 | 90 | null | 103.31 | 0.03 | 90 | null | 2,135.8 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]copper(II)thiocyanate | [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κN^2^)pyridine-κN] bis(thiocyanato-N)copper(II) | - C19 H21 Cu N7 S2 - | - C19 H21 Cu N7 S2 - | - C76 H84 Cu4 N28 S8 - | 4 | 1 | TA1259 | Manikandan, Palanichamy; Justin Thomas, K. R.; Manoharan, Periakaruppan T. | [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-<i>N</i>)copper(II) | Acta Crystallographica Section C | 2,000 | 56 | 3 | 308 | 309 | 10.1107/S0108270199015711 | 1.54184 | CuKα | 0.054 | 0.047 | null | null | null | 0.135 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Manikandan, Palanichamy; Justin Thomas, K. R.; Manoharan, Periakaruppan T.
[2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-<i>N</i>)copper(II)
Acta Crystallographica Section C
56(3)
(2000)
308-309 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010777.cif $
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2,010,778 | 6.844 | 0.002 | 6.908 | 0.002 | 9.061 | 0.003 | 101.398 | 0.004 | 90.799 | 0.004 | 112.515 | 0.003 | 386 | 0.2 | 170 | 2 | 170 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-Amino-5-carboxypyridinium chloride | - C6 H7 Cl N2 O2 - | - C6 H7 Cl N2 O2 - | - C12 H14 Cl2 N4 O4 - | 2 | 1 | TA1270 | John Giantsidis; Mark M. Turnbull | 6-Aminonicotinic acid hydrochloride | Acta Crystallographica Section C | 2,000 | 56 | 3 | 334 | 335 | 10.1107/S0108270199014821 | 0.71073 | MoKα | 0.037 | 0.034 | null | null | null | 0.091 | null | null | null | null | null | 1.135 | null | null | has coordinates,has Fobs | John Giantsidis; Mark M. Turnbull
6-Aminonicotinic acid hydrochloride
Acta Crystallographica Section C
56(3)
(2000)
334-335 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010778.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,779 | 13.097 | 0.002 | 16.169 | 0.002 | 10.752 | 0.002 | 90 | null | 95.818 | 0.012 | 90 | null | 2,265.2 | 0.6 | 293 | 1 | 293 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | BC-166 | 11-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-8-chloro-5H- dibenzo[b,e][1,4]diazepine | - C25 H23 Cl N4 O2 - | - C25 H23 Cl N4 O2 - | - C100 H92 Cl4 N16 O8 - | 4 | 1 | TA1272 | Capuano, Ben; Crosby, Ian T.; Gable, Robert W.; Lloyd, Edward J. | <i>N</i>-Piperonyl analogue of the atypical antipsychotic clozapine | Acta Crystallographica Section C | 2,000 | 56 | 3 | 339 | 340 | 10.1107/S0108270199015139 | 0.71073 | MoKα | 0.057 | 0.039 | null | 0.11 | null | 0.097 | null | null | 1.025 | null | null | 1.063 | null | null | has coordinates,has Fobs | Capuano, Ben; Crosby, Ian T.; Gable, Robert W.; Lloyd, Edward J.
<i>N</i>-Piperonyl analogue of the atypical antipsychotic clozapine
Acta Crystallographica Section C
56(3)
(2000)
339-340 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010779.cif $
#-------------------------------------------------------------------... | |||||||||
2,010,780 | 8.056 | 0.001 | 6.7586 | 0.0006 | 11.694 | 0.003 | 90 | null | 102.93 | 0.01 | 90 | null | 620.56 | 0.19 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C13 H13 N3 O S - | - C13 H13 N3 O S - | - C26 H26 N6 O2 S2 - | 2 | 1 | TA1278 | Lovejoy, David B.; Richardson, Des. R.; Bernhardt, Paul V. | 2-Hydroxy-1-naphthaldehyde 2-methylthiosemicarbazone | Acta Crystallographica Section C | 2,000 | 56 | 3 | 341 | 342 | 10.1107/S0108270199015140 | 0.71073 | MoKα | 0.0472 | 0.0413 | null | null | null | 0.1206 | null | null | null | null | null | 1.044 | null | null | has coordinates | Lovejoy, David B.; Richardson, Des. R.; Bernhardt, Paul V.
2-Hydroxy-1-naphthaldehyde 2-methylthiosemicarbazone
Acta Crystallographica Section C
56(3)
(2000)
341-342 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010780.cif $
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2,010,781 | 14.789 | 0.013 | 13.14 | 0.008 | 19.064 | 0.016 | 90 | null | 97.94 | 0.03 | 90 | null | 3,669 | 5 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C30 H37 Bi Br5 N5 - | - C30 H37 Bi Br5 N5 - | - C120 H148 Bi4 Br20 N20 - | 4 | 0.5 | AV1032 | James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J. | Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline) | Acta Crystallographica Section C | 2,000 | 56 | 4 | 427 | 429 | 10.1107/S0108270100000263 | 0.71073 | MoKα | 0.0451 | 0.0286 | null | null | null | 0.0554 | null | null | null | null | null | 0.919 | null | null | has coordinates | James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)
Acta Crystallographica Section C
56(4)
(2000)
427-429 | 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/2/01/07/2010781.cif $
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2,010,782 | 18.699 | 0.002 | 14.889 | 0.003 | 7.408 | 0.003 | 90 | null | 90 | null | 90 | null | 2,062.5 | 1 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | pentachloropyridylbismuthate(III) pyridinium | - C15 H17 Bi Cl5 N3 - | - C15 H17 Bi Cl5 N3 - | - C60 H68 Bi4 Cl20 N12 - | 4 | 0.5 | AV1032 | James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J. | Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline) | Acta Crystallographica Section C | 2,000 | 56 | 4 | 427 | 429 | 10.1107/S0108270100000263 | 0.71073 | MoKα | 0.049 | 0.0298 | null | 0.0578 | null | 0.052 | null | null | 1.052 | null | null | 1.068 | null | null | has coordinates | James, Sian C.; Lawson, Yvonne G.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
Salts of two pentahalo(<i>N</i>-donor)bismuthate(III) anions: [Bi<i>X</i>~5~<i>L</i>]^2{-^} (<i>X</i> = Cl, Br; <i>L</i> = pyridine, 4-picoline)
Acta Crystallographica Section C
56(4)
(2000)
427-429 | 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/2/01/07/2010782.cif $
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2,010,783 | 13.549 | 0.002 | 7.525 | 0.002 | 5.891 | 0.004 | 90 | null | 90.04 | 0.03 | 90 | null | 600.6 | 0.4 | 173 | 2 | 123 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2,2'-bi(1,3,5,2-trithiaborapentalene) | - C8 H4 B2 S6 - | - C8 H4 B2 S6 - | - C16 H8 B4 S12 - | 2 | 0.5 | BK1489 | Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R. | Three sulfur-containing diborane(4) compounds | Acta Crystallographica Section C | 2,000 | 56 | 4 | 440 | 444 | 10.1107/S0108270199014778 | 0.71073 | MoKα | 0.063 | 0.055 | null | 0.139 | null | 0.135 | null | null | 0.984 | null | null | 1.06 | null | null | has coordinates,has Fobs | Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Three sulfur-containing diborane(4) compounds
Acta Crystallographica Section C
56(4)
(2000)
440-444 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010783.cif $
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2,010,784 | 9.578 | 0.002 | 9.686 | 0.002 | 12.172 | 0.003 | 95.56 | 0.02 | 91.99 | 0.02 | 113.349 | 0.012 | 1,028.6 | 0.4 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,2'-bis(dimethylamino)-2,2'-bi(1,3,4,6,2-tetrathiaborapentalene-S-thione | - C10 H14 B2 N2 S10 - | - C10 H14 B2 N2 S10 - | - C20 H28 B4 N4 S20 - | 2 | 1 | BK1489 | Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R. | Three sulfur-containing diborane(4) compounds | Acta Crystallographica Section C | 2,000 | 56 | 4 | 440 | 444 | 10.1107/S0108270199014778 | 0.71073 | MoKα | 0.047 | 0.031 | null | 0.076 | null | 0.072 | null | null | 0.965 | null | null | 1.04 | null | null | has coordinates | Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Three sulfur-containing diborane(4) compounds
Acta Crystallographica Section C
56(4)
(2000)
440-444 | 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/2/01/07/2010784.cif $
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2,010,785 | 29.629 | 0.003 | 29.629 | 0.003 | 9.438 | 0.002 | 90 | null | 90 | null | 120 | null | 7,175.4 | 1.8 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | R -3 :H | -R 3 | 148 | 1,2-bis(dimethylamino)-1,1:2,2-bis(dimethylenedithioxy)diborane(4) dichloromethane solvate | - C8.33 H22.66 B2 Cl0.66 N2 S4 - | - C8.334 H22.668 B2 Cl0.666667 N2 S4 - | - C150.012 H408.024 B36 Cl12 N36 S72 - | 18 | 1 | BK1489 | Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R. | Three sulfur-containing diborane(4) compounds | Acta Crystallographica Section C | 2,000 | 56 | 4 | 440 | 444 | 10.1107/S0108270199014778 | 0.71073 | MoKα | 0.064 | 0.046 | null | null | null | 0.129 | null | null | null | null | null | 1.3 | null | null | has coordinates,has disorder,has Fobs | Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
Three sulfur-containing diborane(4) compounds
Acta Crystallographica Section C
56(4)
(2000)
440-444 | 202,207 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-20 20:22:20 +0300 (Fri, 20 Oct 2017) $
#$Revision: 202207 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010785.cif $
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2,010,786 | 7.0115 | 0.0001 | 18.7691 | 0.0006 | 21.1681 | 0.0007 | 90 | null | 90 | null | 90 | null | 2,785.71 | 0.13 | 200 | 1 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C10 H16 O - | - C10 H16 O - | - C120 H192 O12 - | 12 | 3 | BK1491 | Harper, James K.; Arif, Atta M.; Grant, David M. | <i>cis</i>-Verbenol | Acta Crystallographica Section C | 2,000 | 56 | 4 | 451 | 452 | 10.1107/S010827019901570X | 0.71073 | MoKα | null | 0.047 | null | null | null | 0.127 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Harper, James K.; Arif, Atta M.; Grant, David M.
<i>cis</i>-Verbenol
Acta Crystallographica Section C
56(4)
(2000)
451-452 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010786.cif $
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2,010,787 | 14.9958 | 0.001 | 17.5356 | 0.0012 | 9.0327 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,375.2 | 0.3 | 173 | null | null | null | null | null | null | null | 4 | C c c a :2 | -C 2a 2ac | 68 | Bis(trimethylsilyl)mercury | Bis(trimethylsilyl)mercury | - C12 H36 Hg2 Si4 - | - C12 H36 Hg2 Si4 - | - C48 H144 Hg8 Si16 - | 4 | 0.25 | BK1496 | Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees, Jr, William S. | Reinvestigation of bis(trimethylsilyl)mercury | Acta Crystallographica Section C | 2,000 | 56 | 4 | 412 | 413 | 10.1107/S0108270199016339 | 0.71073 | MoKα | null | 0.028 | null | null | null | 0.074 | null | null | null | null | null | 0.985 | null | null | has coordinates | Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees, Jr, William S.
Reinvestigation of bis(trimethylsilyl)mercury
Acta Crystallographica Section C
56(4)
(2000)
412-413 | 176,428 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010787.cif $
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2,010,788 | 42.064 | 0.006 | 42.064 | 0.006 | 7.052 | 0.003 | 90 | null | 90 | null | 120 | null | 10,806 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | R -3 :H | -R 3 | 148 | Aqua(n-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^-N]cobalt(III) perchlorate | - C17 H34 Cl Co N4 O7 - | - C17 H34 Cl Co N4 O7 - | - C306 H612 Cl18 Co18 N72 O126 - | 18 | 1 | BK1502 | Xiang, Ping; Chen, Ying; Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying | Aqua(<i>n</i>-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^<i>N</i>]cobalt(III) perchlorate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 421 | 422 | 10.1107/S010827019901673X | 0.71073 | MoKα | 0.093 | 0.064 | null | null | null | 0.183 | null | null | null | null | null | 1.025 | null | null | has coordinates,has disorder | Xiang, Ping; Chen, Ying; Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying
Aqua(<i>n</i>-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^<i>N</i>]cobalt(III) perchlorate
Acta Crystallographica Section C
56(4)
(2000)
421-422 | 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/2/01/07/2010788.cif $
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2,010,789 | 16.427 | 0.002 | 15.195 | 0.002 | 7.194 | 0.001 | 90 | null | 90 | null | 90 | null | 1,795.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | DPPE | [2-(4-benzylphenoxy)ethyl]diethylammonium chloride | - C19 H26 Cl N O - | - C19 H26 Cl N O - | - C76 H104 Cl4 N4 O4 - | 4 | 1 | BK1510 | Hempel, Andrew; Camerman, Norman; Dauter, Zbigniew; Mastropaolo, Donald; Camerman, Arthur | The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride | Acta Crystallographica Section C | 2,000 | 56 | 4 | 455 | 456 | 10.1107/S0108270199016741 | 0.92 | synchrotronradiation | 0.041 | 0.036 | null | null | null | 0.105 | null | null | null | null | null | 1.002 | null | null | has coordinates,has Fobs | Hempel, Andrew; Camerman, Norman; Dauter, Zbigniew; Mastropaolo, Donald; Camerman, Arthur
The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride
Acta Crystallographica Section C
56(4)
(2000)
455-456 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010789.cif $
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2,010,790 | 8.7122 | 0.0005 | 12.8097 | 0.0011 | 13.7023 | 0.0012 | 113.2 | 0.007 | 91.68 | 0.006 | 101.35 | 0.006 | 1,368.3 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | (8-dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate (1:1:1) | - C23 H24 Cl6 N2 O5 - | - C23 H24 Cl6 N2 O5 - | - C46 H48 Cl12 N4 O10 - | 2 | 1 | BM1360 | Keller, Daphne E.; Kooijman, Huub; Scheurs, Antoine M. M.; Kroon, Jan; Grech, Eugeniusz | (8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 479 | 480 | 10.1107/S0108270100000664 | 0.71073 | MoKα | 0.07 | 0.039 | null | null | null | 0.107 | null | null | null | null | null | 0.998 | null | null | has coordinates,has Fobs | Keller, Daphne E.; Kooijman, Huub; Scheurs, Antoine M. M.; Kroon, Jan; Grech, Eugeniusz
(8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate
Acta Crystallographica Section C
56(4)
(2000)
479-480 | 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/2/01/07/2010790.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,791 | 9.592 | 0.012 | 11.989 | 0.014 | 12.574 | 0.014 | 115.219 | 0.01 | 102.68 | 0.01 | 94.734 | 0.01 | 1,251 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C18 H18 N9 O12 Sm - | - C18 H14 N9 O12 Sm - | - C36 H28 N18 O24 Sm2 - | 2 | 1 | BM1386 | Michael G.B.Drew; Michael J.Hudson; Peter B. Iveson; Charles Madic | [Sm(NO~3~)~3~(TPTZ)(H~2~O)]·2H~2~O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine] | Acta Crystallographica Section C | 2,000 | 56 | 4 | 434 | 435 | 10.1107/S0108270100000615 | 0.71073 | MoKα | 0.0348 | 0.0331 | null | null | null | 0.0944 | null | null | null | null | null | 1.087 | null | null | has coordinates,has Fobs | Michael G.B.Drew; Michael J.Hudson; Peter B. Iveson; Charles Madic
[Sm(NO~3~)~3~(TPTZ)(H~2~O)]·2H~2~O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine]
Acta Crystallographica Section C
56(4)
(2000)
434-435 | 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/2/01/07/2010791.cif $
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2,010,792 | 6.748 | 0.003 | 10.466 | 0.004 | 12.555 | 0.004 | 90 | null | 92.36 | 0.03 | 90 | null | 885.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate | - C14 H19 I N2 O8 - | - C14 H19 I N2 O8 - | - C28 H38 I2 N4 O16 - | 2 | 1 | BM1390 | Mazumdar, G.; De, M.; Mukhopadhyay, A.; Mazumdar, S. K.; Mazumder, N.; Das, A. K.; Knaus, Edward E. | Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue | Acta Crystallographica Section C | 2,000 | 56 | 4 | 494 | 495 | 10.1107/S0108270100000998 | 0.71069 | MoKα | 0.044 | 0.036 | null | 0.137 | 0.071 | null | null | null | 0.928 | 0.925 | 0.925 | null | null | null | has coordinates,has Fobs | Mazumdar, G.; De, M.; Mukhopadhyay, A.; Mazumdar, S. K.; Mazumder, N.; Das, A. K.; Knaus, Edward E.
Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue
Acta Crystallographica Section C
56(4)
(2000)
494-495 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010792.cif $
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2,010,793 | 6.4 | 0.002 | 14.181 | 0.003 | 7.416 | 0.001 | 90 | null | 95.43 | 0.02 | 90 | null | 670 | 0.3 | 297 | null | 297 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Iron(II) Diphosphate Dihydrate | - Fe2 H4 O9 P2 - | - Fe2 H4 O9 P2 - | - Fe8 H16 O36 P8 - | 4 | 1 | BR1253 | Giesber, Henry G. III; Korzenski, Michael B.; Pennington, William T.; Kolis, Joseph W. | Fe~2~P~2~O~7~(H~2~O)~2~ | Acta Crystallographica Section C | 2,000 | 56 | 4 | 399 | 400 | 10.1107/S0108270199014407 | 0.71073 | MoKα | 0.0204 | 0.019 | null | 0.0309 | null | 0.0303 | null | null | null | null | null | 1.18 | null | null | has coordinates | Giesber, Henry G. III; Korzenski, Michael B.; Pennington, William T.; Kolis, Joseph W.
Fe~2~P~2~O~7~(H~2~O)~2~
Acta Crystallographica Section C
56(4)
(2000)
399-400 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,794 | 11.3606 | 0.0008 | 6.0125 | 0.0004 | 5.1482 | 0.0004 | 90 | null | 113.159 | 0.004 | 90 | null | 323.31 | 0.04 | 295 | null | 295 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | mercury(II) tungstate | - Hg O4 W - | - Hg O4 W - | - Hg4 O16 W4 - | 4 | 0.5 | BR1261 | Åsberg Dahlborg, Magnus B.; Svensson, Göran; Ouvarova, Tatiana | Mercury(II) tungstate from neutron powder data | Acta Crystallographica Section C | 2,000 | 56 | 4 | 397 | 398 | 10.1107/S0108270199013864 | neutron | 1.47 | neutron | null | null | null | null | null | null | null | null | 1.23 | null | null | null | null | null | has coordinates | Åsberg Dahlborg, Magnus B.; Svensson, Göran; Ouvarova, Tatiana
Mercury(II) tungstate from neutron powder data
Acta Crystallographica Section C
56(4)
(2000)
397-398 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010794.cif $
#-------------------------------------------------------------------... | |||||||||
2,010,795 | 10.0132 | 0.0004 | 17.3635 | 0.0006 | 82.496 | 0.003 | 90.006 | 0.008 | 90.026 | 0.004 | 89.983 | 0.005 | 14,343.1 | 0.9 | 295 | null | 295 | null | null | null | null | null | 3 | F 1 | F 1 | 1 | aluminum phosphate | - Al O4 P - | - Al O4 P - | - Al160 O640 P160 - | 160 | null | BR1269 | Graetsch, Heribert | Two forms of aluminium phosphate tridymite from X-ray powder data | Acta Crystallographica Section C | 2,000 | 56 | 4 | 401 | 403 | 10.1107/S0108270199015164 | 1.54056 | CuKα~1~ | null | 0.0332 | null | null | null | null | null | null | 2.16 | 2.16 | 2.16 | null | null | null | has coordinates | Graetsch, Heribert
Two forms of aluminium phosphate tridymite from X-ray powder data
Acta Crystallographica Section C
56(4)
(2000)
401-403 | 208,305 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-13 04:33:52 +0300 (Wed, 13 Jun 2018) $
#$Revision: 208305 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010795.cif $
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2,010,796 | 37.3863 | 0.0016 | 5.0455 | 0.0002 | 26.2217 | 0.001 | 90 | null | 117.816 | 0.0013 | 90 | null | 4,374.7 | 0.3 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 c 1 | P -2yc | 7 | aluminum phosphate | - Al O4 P - | - Al O4 P - | - Al48 O192 P48 - | 48 | 24 | BR1269 | Graetsch, Heribert | Two forms of aluminium phosphate tridymite from X-ray powder data | Acta Crystallographica Section C | 2,000 | 56 | 4 | 401 | 403 | 10.1107/S0108270199015164 | 1.54056 | CuKα~1~ | null | 0.0727 | null | null | null | null | null | null | 1.79 | 1.79 | 1.79 | null | null | null | has coordinates | Graetsch, Heribert
Two forms of aluminium phosphate tridymite from X-ray powder data
Acta Crystallographica Section C
56(4)
(2000)
401-403 | 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/2/01/07/2010796.cif $
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2,010,797 | 8.039 | 0.0005 | 7.694 | 0.0016 | 14.13 | 0.002 | 90 | null | 90 | null | 90 | null | 874 | 0.2 | 208 | 2 | 293 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | β-Pyridinium dichloroiodide | - C5 H6 Cl2 I N - | - C4.99998 H6 Cl2 I N0.99996 - | - C19.9999 H24 Cl8 I4 N3.99984 - | 4 | 0.5 | BR1276 | Schulz Lang, Ernesto; Burrow, Robert A.; Diniz, Juraci | β-Pyridinium dichloroiodide | Acta Crystallographica Section C | 2,000 | 56 | 4 | 471 | 472 | 10.1107/S0108270100000317 | 0.71073 | MoKα | 0.1069 | 0.0569 | null | null | null | 0.141 | null | null | null | null | null | 1.046 | null | null | has coordinates,has disorder,has Fobs | Schulz Lang, Ernesto; Burrow, Robert A.; Diniz, Juraci
β-Pyridinium dichloroiodide
Acta Crystallographica Section C
56(4)
(2000)
471-472 | 211,393 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-10-11 17:12:25 +0300 (Thu, 11 Oct 2018) $
#$Revision: 211393 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/07/2010797.cif $
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2,010,798 | 6.8832 | 0.0006 | 9.0568 | 0.0008 | 12.4376 | 0.0011 | 90 | null | 97.219 | 0.002 | 90 | null | 769.21 | 0.12 | 153 | null | 153 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C7 H7 N O6 - | - C7 H7 N O6 - | - C28 H28 N4 O24 - | 4 | 1 | CF1322 | Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H. | Chelidamic acid monohydrate: the proton complex of a multidentate ligand | Acta Crystallographica Section C | 2,000 | 56 | 4 | 448 | 450 | 10.1107/S0108270199015620 | 0.71073 | MoKα | 0.046 | 0.038 | null | 0.05 | null | 0.049 | null | null | 1.616 | null | null | 1.736 | null | null | has coordinates,has Fobs | Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.
Chelidamic acid monohydrate: the proton complex of a multidentate ligand
Acta Crystallographica Section C
56(4)
(2000)
448-450 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,799 | 12.748 | 0.003 | 16.508 | 0.009 | 19.19 | 0.016 | 90 | null | 97.5 | 0.05 | 90 | null | 4,004 | 4 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H39 Gd N3 Na5 O31 - | - C21 H6 Gd N3 Na5 O31 - | - C84 H24 Gd4 N12 Na20 O124 - | 4 | 1 | CF1323 | Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H. | The sodium salt of a tris(tridentate anion)gadolinium(III) complex: pentasodium bis[chelidamato(3{-})][chelidamato(2{-})]gadolinate(III) hexadecahydrate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 407 | 411 | 10.1107/S0108270199015632 | 0.71073 | MoKα | 0.083 | 0.072 | null | 0.068 | null | 0.068 | null | null | 1.542 | null | null | 1.606 | null | null | has coordinates | Hall, Annegret K.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.
The sodium salt of a tris(tridentate anion)gadolinium(III) complex: pentasodium bis[chelidamato(3{-})][chelidamato(2{-})]gadolinate(III) hexadecahydrate
Acta Crystallographica Section C
56(4)
(2000)
407-411 | 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/2/01/07/2010799.cif $
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2,010,800 | 6.531 | 0.002 | 44.759 | 0.004 | 16.224 | 0.002 | 90 | null | 90 | null | 90 | null | 4,742.6 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | F d d 2 | F 2 -2d | 43 | - C14 H2 Fe4 O12 S2 Se2 - | - C14 H2 Fe4 O12 S2 Se2 - | - C112 H16 Fe32 O96 S16 Se16 - | 8 | 0.5 | DA1109 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep | Mixed-chalcogenide double-butterfly complex [{(CO)~6~Fe~2~SSe}~2~{μ-C(H)—C(H)}] | Acta Crystallographica Section C | 2,000 | 56 | 4 | 438 | 439 | 10.1107/S0108270100001037 | 0.71073 | MoKα | 0.0485 | 0.0372 | null | null | null | 0.1077 | null | null | null | null | null | 1.095 | null | null | has coordinates,has Fobs | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Dash, Aswini K.; Mathur, Pradeep
Mixed-chalcogenide double-butterfly complex [{(CO)~6~Fe~2~SSe}~2~{μ-C(H)—C(H)}]
Acta Crystallographica Section C
56(4)
(2000)
438-439 | 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/2/01/08/2010800.cif $
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2,010,801 | 8.101 | 0.002 | 13.564 | 0.003 | 21.573 | 0.004 | 90 | null | 91.13 | 0.03 | 90 | null | 2,370 | 0.9 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | [diaquamagnesium pyrithione][dithiobis(pyridine-N-oxide)] | [diaquabis(1-hydroxy-2(1H)-pyridinethiolato)magnesium(II)] [2,2'-dithiobis(pyridine-N-oxide)] | - C20 H20 Mg N4 O6 S4 - | - C20 H20 Mg N4 O6 S4 - | - C80 H80 Mg4 N16 O24 S16 - | 4 | 0.5 | DE1120 | Bond, Andrew; Jones, William | A host‒guest complex of diaquabis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]magnesium(II) and 2,2'-dithiobis(pyridine <i>N</i>-oxide) | Acta Crystallographica Section C | 2,000 | 56 | 4 | 436 | 437 | 10.1107/S0108270199013608 | 0.71073 | MoKα | 0.05 | 0.036 | null | null | null | 0.096 | null | null | null | null | null | 1.016 | null | null | has coordinates,has Fobs | Bond, Andrew; Jones, William
A host‒guest complex of diaquabis[1-hydroxy-2(1<i>H</i>)-pyridinethionato-<i>O</i>,<i>S</i>]magnesium(II) and 2,2'-dithiobis(pyridine <i>N</i>-oxide)
Acta Crystallographica Section C
56(4)
(2000)
436-437 | 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/2/01/08/2010801.cif $
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2,010,802 | 7.412 | 0.0015 | 11.505 | 0.002 | 13.255 | 0.003 | 103.13 | 0.03 | 103.97 | 0.03 | 106.8 | 0.03 | 995 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Acetatodiaqua[3-(salicyloylhydrazone)butan-2-one oximato]nickel(II) ethanol solvate | - C15 H25 N3 Ni O8 - | - C15 H25 N3 Ni O8 - | - C30 H50 N6 Ni2 O16 - | 2 | 1 | DE1121 | Song, You; Xu, Yan; Zhu, Dun-Ru; You, Xiao-Zeng | Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 430 | 431 | 10.1107/S0108270100000329 | 0.71073 | MoKα | 0.085 | 0.047 | null | 0.134 | 0.122 | null | null | null | 1 | 1.098 | 1.098 | null | null | null | has coordinates | Song, You; Xu, Yan; Zhu, Dun-Ru; You, Xiao-Zeng
Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate
Acta Crystallographica Section C
56(4)
(2000)
430-431 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010802.cif $
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2,010,803 | 10.881 | 0.002 | 15.753 | 0.002 | 5.4764 | 0.0005 | 90 | null | 90 | null | 90 | null | 938.7 | 0.2 | 293.2 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C10 H9 N O3 - | - C10 H9 N O3 - | - C40 H36 N4 O12 - | 4 | 1 | DE1122 | Kanazawa, Hitoshi | <i>N</i>-Carboxy-<small>L</small>-phenylalanine anhydride | Acta Crystallographica Section C | 2,000 | 56 | 4 | 469 | 470 | 10.1107/S0108270100000330 | 0.7107 | MoKα | null | 0.055 | null | null | null | 0.158 | null | null | null | null | null | 1.25 | null | null | has coordinates | Kanazawa, Hitoshi
<i>N</i>-Carboxy-<small>L</small>-phenylalanine anhydride
Acta Crystallographica Section C
56(4)
(2000)
469-470 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010803.cif $
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2,010,804 | 4.8488 | 0.0001 | 14.8294 | 0.0004 | 6.0228 | 0.0002 | 90 | null | 110.534 | 0.001 | 90 | null | 405.553 | 0.019 | 153 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-Seryl-L-Alanine | - C6 H12 N2 O4 - | - C6 H12 N2 O4 - | - C12 H24 N4 O8 - | 2 | 1 | DE1127 | Görbitz, Carl Henrik | A new {`}hydrogen-bond rule' applied to the structure of <small>L</small>-seryl-<small>L</small>-alanine and pairs of dipeptide retroanalogues | Acta Crystallographica Section C | 2,000 | 56 | 4 | 500 | 502 | 10.1107/S0108270100001463 | 0.71073 | MoKα | 0.059 | 0.057 | null | null | null | 0.127 | null | null | null | null | null | 1.342 | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik
A new {`}hydrogen-bond rule' applied to the structure of <small>L</small>-seryl-<small>L</small>-alanine and pairs of dipeptide retroanalogues
Acta Crystallographica Section C
56(4)
(2000)
500-502 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010804.cif $
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2,010,805 | 8.6654 | 0.0005 | 8.7898 | 0.0006 | 10.0105 | 0.0006 | 98.183 | 0.007 | 112.991 | 0.006 | 104.673 | 0.006 | 653.62 | 0.09 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C15 H11 N O4 S - | - C15 H11 N O4 S - | - C30 H22 N2 O8 S2 - | 2 | 1 | FR1229 | Kendi, Engin; Özbey, Süheyla; Bozdoğan, Oya; Ertan, Rahmiye | Flavone-3'-sulfonamide | Acta Crystallographica Section C | 2,000 | 56 | 4 | 457 | 458 | 10.1107/S0108270199016923 | 0.71069 | MoKα | null | 0.037 | null | null | null | 0.044 | null | null | null | null | null | 0.9 | null | null | has coordinates | Kendi, Engin; Özbey, Süheyla; Bozdoğan, Oya; Ertan, Rahmiye
Flavone-3'-sulfonamide
Acta Crystallographica Section C
56(4)
(2000)
457-458 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010805.cif $
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2,010,806 | 11.227 | 0.001 | 13.443 | 0.001 | 15.835 | 0.002 | 68.06 | 0.01 | 72.55 | 0.01 | 76.3 | 0.01 | 2,093.6 | 0.4 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H24 Cl N4 O2.5 - | - C21 H24 Cl N4 O2.5 - | - C84 H96 Cl4 N16 O10 - | 4 | 2 | FR1230 | Özcan, Sabahat; Kendi, Engin; Tunçbilek, Meral; Göker, Hakan | Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate hemihydrate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 459 | 460 | 10.1107/S0108270100000032 | 0.71069 | MoKα | null | 0.053 | null | null | null | 0.068 | null | null | null | null | null | 1.24 | null | null | has coordinates | Özcan, Sabahat; Kendi, Engin; Tunçbilek, Meral; Göker, Hakan
Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate hemihydrate
Acta Crystallographica Section C
56(4)
(2000)
459-460 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010806.cif $
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2,010,807 | 10.3 | 0.001 | 13.39 | 0.001 | 9.322 | 0.007 | 105.65 | 0.09 | 98.62 | 0.09 | 88.45 | 0.03 | 1,223.9 | 1.1 | 296 | null | 296.2 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C30 H24 N2 O2 S - | - C30 H24 N2 O2 S - | - C60 H48 N4 O4 S2 - | 2 | 1 | FR1236 | Simon, Wendy M.; Trujillo, Hernando A.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P. | The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenylsulfonyl-2<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>b</i>]indole | Acta Crystallographica Section C | 2,000 | 56 | 4 | 461 | 462 | 10.1107/S0108270100000020 | 0.7107 | MoKα | 0.151 | 0.05 | null | 0.147 | null | 0.196 | null | null | 2.342 | null | null | 1.05 | null | null | has coordinates | Simon, Wendy M.; Trujillo, Hernando A.; Pelkey, Erin T.; Gribble, Gordon W.; Jasinski, Jerry P.
The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenylsulfonyl-2<i>H</i>,4<i>H</i>-pyrrolo[3,4-<i>b</i>]indole
Acta Crystallographica Section C
56(4)
(2000)
461-462 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010807.cif $
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2,010,808 | 8.486 | 0.001 | 9.247 | 0.003 | 7.917 | 0.002 | 104.84 | 0.02 | 110 | 0.01 | 97.37 | 0.02 | 548.1 | 0.3 | 296 | null | 296 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C7 H10 F O7 P S - | - C7 H10 F O7 P S - | - C14 H20 F2 O14 P2 S2 - | 2 | 1 | FR1237 | Adani, Fabrizio; Montoneri, Enzo; Squattrito, Philip J. | 4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 463 | 464 | 10.1107/S0108270100000184 | 0.7107 | MoKα | null | 0.044 | null | null | null | 0.064 | null | null | null | null | null | 1.98 | null | null | has coordinates | Adani, Fabrizio; Montoneri, Enzo; Squattrito, Philip J.
4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate
Acta Crystallographica Section C
56(4)
(2000)
463-464 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010808.cif $
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2,010,809 | 18.515 | 0.002 | 14.295 | 0.003 | 10.916 | 0.001 | 84.9 | 0.01 | 87.874 | 0.009 | 77.04 | 0.01 | 2,804 | 0.7 | 296 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C57 H51 Cl5 O P3 Pd3 - | - C57 H51 Cl5 O P3 Pd3 - | - C114 H102 Cl10 O2 P6 Pd6 - | 2 | 1 | FR1241 | Kunihisa Sugimoto; Takayoshi Kuroda-Sowa; Sheng-Gang Yan; Masahiko Maekawa; Mugumu Munakata | A novel trinuclear palladium cluster compound: di-μ~3~-chloro-tris[chloro(triphenylphosphine-<i>P</i>)palladium] acetone solvate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 414 | 415 | 10.1107/S0108270199016509 | 0.7107 | MoKα | null | 0.037 | null | null | null | 0.101 | null | null | null | null | null | 1.024 | null | null | has coordinates | Kunihisa Sugimoto; Takayoshi Kuroda-Sowa; Sheng-Gang Yan; Masahiko Maekawa; Mugumu Munakata
A novel trinuclear palladium cluster compound: di-μ~3~-chloro-tris[chloro(triphenylphosphine-<i>P</i>)palladium] acetone solvate
Acta Crystallographica Section C
56(4)
(2000)
414-415 | 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/2/01/08/2010809.cif $
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2,010,810 | 9.0913 | 0.0009 | 11.4168 | 0.0011 | 18.0817 | 0.0017 | 90 | null | 93.46 | 0.007 | 90 | null | 1,873.3 | 0.3 | 160 | 2 | 160 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 9-iodo-1,2-diphenyl-1,2-closo-dicarbadodecaborane(9) | - C14 H19 B10 I - | - C14 H19 B10 I - | - C56 H76 B40 I4 - | 4 | 1 | GD1068 | Thomas D. McGrath; Mark A. Fox; Alan J. Welch | 1,2-Ph~2~-9-I-1,2-<i>closo</i>-C~2~B~10~H~9~ | Acta Crystallographica Section C | 2,000 | 56 | 4 | 487 | 488 | 10.1107/S0108270100000743 | 0.71073 | MoKα | 0.0507 | 0.0349 | null | null | null | 0.0846 | null | null | null | null | null | 1.022 | null | null | has coordinates,has Fobs | Thomas D. McGrath; Mark A. Fox; Alan J. Welch
1,2-Ph~2~-9-I-1,2-<i>closo</i>-C~2~B~10~H~9~
Acta Crystallographica Section C
56(4)
(2000)
487-488 | 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/2/01/08/2010810.cif $
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2,010,811 | 11.56 | 0.001 | 8.4 | 0.001 | 13.954 | 0.001 | 90 | 0.01 | 103.41 | 0.01 | 90 | 0.01 | 1,318 | 0.2 | 298 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C27 H29 N O9 - | - C27 H25 N O9 - | - C54 H50 N2 O18 - | 2 | 1 | GS1061 | Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez | Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle | Acta Crystallographica Section C | 2,000 | 56 | 4 | 445 | 447 | 10.1107/S0108270199015292 | 0.71073 | MoKα | null | 0.062 | null | null | null | 0.098 | null | null | null | null | null | 1.653 | null | null | has coordinates,has Fobs | Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez
Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle
Acta Crystallographica Section C
56(4)
(2000)
445-447 | 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/2/01/08/2010811.cif $
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2,010,812 | 9.5666 | 0.0003 | 11.1026 | 0.0002 | 20.32 | 0.0006 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 2,158.27 | 0.1 | 298 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H20 F N O6 - | - C23 H20 F N O6 - | - C92 H80 F4 N4 O24 - | 4 | 1 | GS1061 | Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez | Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle | Acta Crystallographica Section C | 2,000 | 56 | 4 | 445 | 447 | 10.1107/S0108270199015292 | 0.71073 | MoKα | null | 0.033 | null | null | null | 0.052 | null | null | null | null | null | 1.22 | null | null | has coordinates,has Fobs | Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez
Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle
Acta Crystallographica Section C
56(4)
(2000)
445-447 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010812.cif $
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2,010,813 | 12.114 | 0.001 | 8.095 | 0.002 | 18.538 | 0.006 | 90 | null | 106.3 | 0.01 | 90 | null | 1,744.8 | 0.7 | 299 | 2 | 299 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [N,N'-Bis(5-bromosalicylidene)-o-phenylenediamine]copper(II) | - C20 H12 Br2 Cu N2 O2 - | - C20 H12 Br2 Cu N2 O2 - | - C80 H48 Br8 Cu4 N8 O8 - | 4 | 1 | GS1068 | Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid | [<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-<i>o</i>-phenylenediaminato]copper(II) | Acta Crystallographica Section C | 2,000 | 56 | 4 | 423 | 424 | 10.1107/S0108270199016935 | 0.71093 | MoKα | 0.11 | 0.04 | null | null | null | 0.115 | null | null | 1.017 | null | null | 1.073 | null | null | has coordinates,has Fobs | Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid
[<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-<i>o</i>-phenylenediaminato]copper(II)
Acta Crystallographica Section C
56(4)
(2000)
423-424 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010813.cif $
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2,010,814 | 9.368 | 0.005 | 19.776 | 0.007 | 11.484 | 0.008 | 90 | null | 101.92 | 0.04 | 90 | null | 2,082 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 7-benzoyl-2-(4-methoxyphenyl)-6-phenyl-5-oxa-2,6-diazaspiro[3.4]octan-1-one | - C25 H22 N2 O4 - | - C25 H22 N2 O4 - | - C100 H88 N8 O16 - | 4 | 1 | GS1071 | Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel | Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones | Acta Crystallographica Section C | 2,000 | 56 | 4 | 473 | 474 | 10.1107/S010827010000072X | 1.5418 | CuKα | 0.101 | 0.05 | null | 0.147 | null | 0.12 | null | null | 1.013 | null | null | 1.078 | null | null | has coordinates,has Fobs | Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel
Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones
Acta Crystallographica Section C
56(4)
(2000)
473-474 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010814.cif $
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2,010,815 | 6.272 | 0.002 | 10.687 | 0.003 | 15.327 | 0.004 | 103.39 | 0.02 | 87.79 | 0.03 | 95.62 | 0.02 | 994.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 6-tert-butyl-2-(4-methylphenyl)-7-phenyl-5-oxa-2,6-diazaspiro[3.4]octan-1-one | - C22 H26 N2 O2 - | - C22 H26 N2 O2 - | - C44 H52 N4 O4 - | 2 | 1 | GS1071 | Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel | Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones | Acta Crystallographica Section C | 2,000 | 56 | 4 | 473 | 474 | 10.1107/S010827010000072X | 1.5418 | CuKα | 0.212 | 0.083 | null | 0.304 | null | 0.218 | null | null | 0.966 | null | null | 1.167 | null | null | has coordinates | Chiaroni, Angèle; Riche, Claude; Rigolet, Séverinne; Mélot, Jean-Marie; Vebrel, Joel
Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones
Acta Crystallographica Section C
56(4)
(2000)
473-474 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010815.cif $
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2,010,816 | 13.3445 | 0.0002 | 13.7089 | 0.0002 | 14.2471 | 0.0002 | 106.644 | 0.007 | 116.816 | 0.008 | 90.965 | 0.007 | 2,195.8 | 0.2 | 100 | 0.1 | 100 | 0.1 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Carbonyl[dihydrobis(pyrazol-1-yl-κN^2^)borato]hydridobis- (tri-p-tolylphosphine-κP)ruthenium(II) | - C49 H51 B N4 O P2 Ru - | - C49 H51 B N4 O P2 Ru - | - C98 H102 B2 N8 O2 P4 Ru2 - | 2 | 1 | JA1005 | Huh, Seong; Park, Young Jun; Lough, Alan. J.; Jun, Moo-Jin | Carbonyl[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]hydridobis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)ruthenium(II) | Acta Crystallographica Section C | 2,000 | 56 | 4 | 416 | 417 | 10.1107/S0108270199016649 | 0.71073 | MoKα | 0.114 | 0.061 | null | null | null | 0.152 | null | null | null | null | null | 0.965 | null | null | has coordinates,has Fobs | Huh, Seong; Park, Young Jun; Lough, Alan. J.; Jun, Moo-Jin
Carbonyl[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]hydridobis(tri-<i>p</i>-tolylphosphine-κ<i>P</i>)ruthenium(II)
Acta Crystallographica Section C
56(4)
(2000)
416-417 | 209,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-07 17:33:59 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209447 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010816.cif $
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2,010,817 | 11.1132 | 0.0013 | 5.8547 | 0.0006 | 13.1706 | 0.0013 | 90 | null | 100.466 | 0.009 | 90 | null | 842.68 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis(aniline)dithiocyanatocadmium(II) | - C14 H14 Cd N4 S2 - | - C14 H14 Cd N4 S2 - | - C28 H28 Cd2 N8 S4 - | 2 | 0.5 | JA1012 | Moon, Hyoung-Sil; Kim, Chong-Hyeak; Lee, Sueg-Geun | One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II) | Acta Crystallographica Section C | 2,000 | 56 | 4 | 425 | 426 | 10.1107/S0108270100000160 | 0.71073 | MoKα | 0.0314 | 0.025 | null | null | null | 0.0677 | null | null | null | null | null | 1.046 | null | null | has coordinates,has Fobs | Moon, Hyoung-Sil; Kim, Chong-Hyeak; Lee, Sueg-Geun
One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II)
Acta Crystallographica Section C
56(4)
(2000)
425-426 | 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/2/01/08/2010817.cif $
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2,010,818 | 13.425 | 0.003 | 7.4226 | 0.0012 | 15.0382 | 0.0017 | 90 | null | 91.881 | 0.013 | 90 | null | 1,497.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 3β-Hydroxy-11-oxo-18α-olean-12-en-28-oic acid methyl ester | - C33 H54 O5 - | - C33 H54 O5 - | - C66 H108 O10 - | 2 | 1 | JZ1368 | Gzella, Andrzej | Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester | Acta Crystallographica Section C | 2,000 | 56 | 4 | 505 | 507 | 10.1107/S0108270199014602 | 1.54178 | CuKα | 0.044 | 0.042 | null | null | null | 0.124 | null | null | null | null | null | 1.067 | null | null | has coordinates | Gzella, Andrzej
Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester
Acta Crystallographica Section C
56(4)
(2000)
505-507 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010818.cif $
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2,010,819 | 6.6304 | 0.0012 | 12.886 | 0.002 | 31.442 | 0.005 | 90 | null | 90 | null | 90 | null | 2,686.4 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3,11-Dioxo-18α-olean-12-en-28-oic acid methyl ester | - C31 H46 O4 - | - C31 H46 O4 - | - C124 H184 O16 - | 4 | 1 | JZ1368 | Gzella, Andrzej | Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester | Acta Crystallographica Section C | 2,000 | 56 | 4 | 505 | 507 | 10.1107/S0108270199014602 | 1.54178 | CuKα | 0.044 | 0.036 | null | null | null | 0.105 | null | null | null | null | null | 1.049 | null | null | has coordinates | Gzella, Andrzej
Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester
Acta Crystallographica Section C
56(4)
(2000)
505-507 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010819.cif $
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2,010,820 | 8.898 | 0.002 | 8.898 | 0.002 | 6.947 | 0.002 | 90 | null | 90 | null | 120 | null | 476.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 63/m | -P 6c | 176 | SSS | 2,4,6-Tris(methylthio)-1,3,5-triazine | - C6 H9 N3 S3 - | - C6 H9 N3 S3 - | - C12 H18 N6 S6 - | 2 | 0.166667 | JZ1377 | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem | 2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione | Acta Crystallographica Section C | 2,000 | 56 | 4 | 465 | 468 | 10.1107/S0108270100000214 | 0.7107 | MoKα | 0.0641 | 0.0337 | null | null | null | 0.0879 | null | null | null | null | null | 1.029 | null | null | has coordinates | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem
2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione
Acta Cr... | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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#$Revision: 301798 $
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2,010,821 | 16.566 | 0.006 | 6.813 | 0.002 | 8.926 | 0.003 | 90 | null | 90 | null | 90 | null | 1,007.4 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | SSN(sss) | 3-Methyl-4,6-bismethylthio-1,3,5-triazine-2(3H)-thione | - C6 H9 N3 S3 - | - C6 H9 N3 S3 - | - C24 H36 N12 S12 - | 4 | 0.5 | JZ1377 | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem | 2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione | Acta Crystallographica Section C | 2,000 | 56 | 4 | 465 | 468 | 10.1107/S0108270100000214 | 0.7107 | MoKα | 0.0726 | 0.0489 | null | null | null | 0.117 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem
2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione
Acta Cr... | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,822 | 9.618 | 0.005 | 11.435 | 0.006 | 13.91 | 0.007 | 107.3 | 0.05 | 100.65 | 0.05 | 93.05 | 0.05 | 1,425.9 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | SNN | 1,3-Dimethyl-4-methylthio-1,3,5-triazine-2,6(1H,3H)-dithione | - C6 H9 N3 S3 - | - C6 H9 N3 S3 - | - C36 H54 N18 S18 - | 6 | 3 | JZ1377 | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem | 2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione | Acta Crystallographica Section C | 2,000 | 56 | 4 | 465 | 468 | 10.1107/S0108270100000214 | 0.7107 | MoKα | 0.0603 | 0.0439 | null | null | null | 0.1291 | null | null | null | null | null | 1.065 | null | null | has coordinates,has Fobs | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem
2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione
Acta Cr... | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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#$Revision: 301798 $
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2,010,823 | 15.247 | 0.001 | 8.792 | 0.001 | 16.165 | 0.001 | 90 | null | 116.6 | 0.01 | 90 | null | 1,937.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | NNN(sss) | 1,3,5-Trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trithione | - C6 H9 N3 S3 - | - C6 H9 N3 S3 - | - C48 H72 N24 S24 - | 8 | 2 | JZ1377 | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem | 2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione | Acta Crystallographica Section C | 2,000 | 56 | 4 | 465 | 468 | 10.1107/S0108270100000214 | 0.7107 | MoKα | 0.0595 | 0.0558 | null | null | null | 0.1492 | null | null | null | null | null | 1.14 | null | null | has coordinates,has Fobs | Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem
2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3<i>H</i>)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1<i>H</i>,3<i>H</i>)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trithione
Acta Cr... | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,824 | 10.5235 | 0.0008 | 7.1136 | 0.0003 | 18.2587 | 0.0013 | 90 | null | 100.632 | 0.009 | 90 | null | 1,343.38 | 0.16 | 173 | 1 | 173 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | isoaurone | (E)-6-Methoxy-3-(α-methoxybenzylidene)benzo[b]furan-2(3H)-one | - C17 H14 O4 - | - C17 H14 O4 - | - C68 H56 O16 - | 4 | 1 | JZ1387 | Burke, Anthony J.; Schmalle, Helmut W.; Brady, Bernard A.; O'Sullivan, W. Ivo | (<i>E</i>)-6-Methoxy-3-(α-methoxybenzylidene)benzo[<i>b</i>]furan-2(3<i>H</i>)-one at 173K | Acta Crystallographica Section C | 2,000 | 56 | 4 | 484 | 486 | 10.1107/S0108270100000731 | 0.71073 | MoKα | null | 0.034 | null | null | null | 0.067 | null | null | null | null | null | 1.012 | null | null | has coordinates,has Fobs | Burke, Anthony J.; Schmalle, Helmut W.; Brady, Bernard A.; O'Sullivan, W. Ivo
(<i>E</i>)-6-Methoxy-3-(α-methoxybenzylidene)benzo[<i>b</i>]furan-2(3<i>H</i>)-one at 173K
Acta Crystallographica Section C
56(4)
(2000)
484-486 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,825 | 9.259 | 0.003 | 7.2787 | 0.001 | 9.767 | 0.003 | 90 | null | 110.29 | 0.02 | 90 | null | 617.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 3-iodo-1H-pyrazolo[3,4-d]pyrimidine | - C10 H12 I N5 O3 - | - C10 H12 I N5 O3 - | - C20 H24 I2 N10 O6 - | 2 | 1 | LN1089 | Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido | 7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine | Acta Crystallographica Section C | 2,000 | 56 | 4 | 489 | 491 | 10.1107/S0108270100000780 | 0.71073 | MoKα | 0.026 | 0.026 | null | null | null | 0.069 | null | null | null | null | null | 1.036 | null | null | has coordinates,has Fobs | Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido
7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine
Acta Crystallographica Section C
56(4)
(2000)
489-491 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010825.cif $
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2,010,826 | 9.093 | 0.0009 | 7.2595 | 0.001 | 9.6369 | 0.0019 | 90 | null | 109.362 | 0.011 | 90 | null | 600.16 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 4-amino-3-bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)- 1H-pyrazolo[3,4-d]pyrimidine | - C10 H12 Br N5 O3 - | - C10 H12 Br N5 O3 - | - C20 H24 Br2 N10 O6 - | 2 | 1 | LN1089 | Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido | 7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine | Acta Crystallographica Section C | 2,000 | 56 | 4 | 489 | 491 | 10.1107/S0108270100000780 | 0.71073 | MoKα | 0.04 | 0.035 | null | null | null | 0.093 | null | null | null | null | null | 1.052 | null | null | has coordinates,has Fobs | Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido
7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine
Acta Crystallographica Section C
56(4)
(2000)
489-491 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010826.cif $
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2,010,827 | 7.146 | 0.001 | 10.561 | 0.001 | 21.306 | 0.001 | 90 | null | 90 | null | 90 | null | 1,607.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1:1 Hetero-assembly of 2-Aminopyrimidine and (+)-Camphoric acid | - C14 H21 N3 O4 - | - C14 H21 N3 O4 - | - C56 H84 N12 O16 - | 4 | 1 | LN1090 | Shyamaprosad Goswami; Reshmi Mukherjee; Kumaresh Ghosh; Ibrahim Abdul Razak; S. Shanmuga Sundara Raj; Hoong-Kun Fun | 1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | 477 | 478 | 10.1107/S0108270100000755 | 0.71073 | MoKα | 0.138 | 0.065 | null | null | null | 0.159 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Shyamaprosad Goswami; Reshmi Mukherjee; Kumaresh Ghosh; Ibrahim Abdul Razak; S. Shanmuga Sundara Raj; Hoong-Kun Fun
1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid
Acta Crystallographica Section C
56(4)
(2000)
477-478 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010827.cif $
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2,010,828 | 16.544 | 0.004 | 4.477 | 0.001 | 21.993 | 0.003 | 90 | 0.02 | 92.14 | 0.01 | 90 | 0.02 | 1,627.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | sodium 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl)- 4-methylhex-4-enoate | - C17 H19 Na O6 - | - C17 H19 Na O6 - | - C68 H76 Na4 O24 - | 4 | 1 | LN1094 | Rihs, Grety; Papageorgiou, Christos; Pfeffer, Sabine | Sodium mycophenolate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 432 | 433 | 10.1107/S0108270100000524 | 1.54178 | CuKα | 0.085 | 0.048 | null | 0.152 | null | 0.121 | null | null | 0.857 | null | null | 0.918 | null | null | has coordinates,has Fobs | Rihs, Grety; Papageorgiou, Christos; Pfeffer, Sabine
Sodium mycophenolate
Acta Crystallographica Section C
56(4)
(2000)
432-433 | 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/2/01/08/2010828.cif $
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2,010,829 | 9.4958 | 0.001 | 10.1947 | 0.0008 | 22.124 | 0.002 | 90 | null | 90 | null | 90 | null | 2,141.8 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azet idin-2-one | - C26 H26 N2 O - | - C26 H26 N2 O - | - C104 H104 N8 O4 - | 4 | 1 | LN1096 | Kooijman, Huub; Spek, Anthony L.; Kleijn, Henk; Maanen, Hendrik L. van; Jastrzebski, Johann T. B. H.; Koten, Gerard van | (3<i>R</i>,4<i>S</i>)-3-Phenyl-1-[(<i>R</i>)-1-phenylethyl]-4-[(<i>R</i>)-1-phenylethyliminomethyl]azetidin-2-one | Acta Crystallographica Section C | 2,000 | 56 | 4 | 481 | 483 | 10.1107/S0108270100000767 | 0.71073 | MoKα | 0.064 | 0.04 | null | null | null | 0.106 | null | null | null | null | null | 1.018 | null | null | has coordinates,has Fobs | Kooijman, Huub; Spek, Anthony L.; Kleijn, Henk; Maanen, Hendrik L. van; Jastrzebski, Johann T. B. H.; Koten, Gerard van
(3<i>R</i>,4<i>S</i>)-3-Phenyl-1-[(<i>R</i>)-1-phenylethyl]-4-[(<i>R</i>)-1-phenylethyliminomethyl]azetidin-2-one
Acta Crystallographica Section C
56(4)
(2000)
481-483 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010829.cif $
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2,010,830 | 11.4515 | 0.0002 | 8.6572 | 0.0001 | 22.6109 | 0.0004 | 90 | null | 90.864 | 0.001 | 90 | null | 2,241.34 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c] quinoline | - C26 H22 N2 O2 S - | - C26 H22 N2 O2 S - | - C104 H88 N8 O8 S4 - | 4 | 1 | NA1443 | Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Babu, G.; Perumal, P.T. | 4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3<i>H</i>-cyclopenta[<i>c</i>]quinoline | Acta Crystallographica Section C | 2,000 | 56 | 4 | 475 | 476 | 10.1107/S0108270100000640 | 0.71073 | MoKα | 0.094 | 0.054 | null | null | null | 0.149 | null | null | null | null | null | 1.019 | null | null | has coordinates,has Fobs | Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Babu, G.; Perumal, P.T.
4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3<i>H</i>-cyclopenta[<i>c</i>]quinoline
Acta Crystallographica Section C
56(4)
(2000)
475-476 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010830.cif $
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2,010,831 | 7.025 | 0.001 | 8.0689 | 0.0004 | 16.754 | 0.002 | 90 | null | 90 | null | 90 | null | 949.68 | 0.18 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N-acetyl-L-threoninate ammonium | - C6 H14 N2 O4 - | - C6 H14 N2 O4 - | - C24 H56 N8 O16 - | 4 | 1 | NA1450 | Puliti, Raffaella; Mattia, Carlo Andrea | Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 496 | 499 | 10.1107/S0108270100001268 | 1.54056 | CuKα | 0.0362 | 0.0358 | null | null | null | 0.0435 | null | null | null | null | null | 0.964 | null | null | has coordinates | Puliti, Raffaella; Mattia, Carlo Andrea
Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate
Acta Crystallographica Section C
56(4)
(2000)
496-499 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010831.cif $
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2,010,832 | 8.14 | 0.0009 | 7.178 | 0.002 | 9.081 | 0.001 | 90 | null | 113.52 | 0.01 | 90 | null | 486.51 | 0.16 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | N-acetyl-L-threoninate methylammonium | - C7 H16 N2 O4 - | - C7 H16 N2 O4 - | - C14 H32 N4 O8 - | 2 | 1 | NA1450 | Puliti, Raffaella; Mattia, Carlo Andrea | Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate | Acta Crystallographica Section C | 2,000 | 56 | 4 | 496 | 499 | 10.1107/S0108270100001268 | 1.54056 | CuKα | 0.0415 | 0.0412 | null | null | null | 0.0487 | null | null | null | null | null | 0.989 | null | null | has coordinates | Puliti, Raffaella; Mattia, Carlo Andrea
Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate
Acta Crystallographica Section C
56(4)
(2000)
496-499 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010832.cif $
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2,010,833 | 7.754 | 0.004 | 8.949 | 0.008 | 11.251 | 0.007 | 78.48 | 0.06 | 70.26 | 0.04 | 70.06 | 0.06 | 687.6 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-(3-methoxybenzoyl)-3,3-diethylthiourea | - C13 H18 N2 O2 S - | - C13 H15 N2 O2 S - | - C26 H30 N4 O4 S2 - | 2 | 1 | NA1453 | Dago Morales, Angel; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Pomés Hernández, Ramón | 1-(3-Methoxybenzoyl)-3,3-diethylthiourea | Acta Crystallographica Section C | 2,000 | 56 | 4 | 503 | 504 | 10.1107/S0108270100001554 | 0.71073 | MoKα | 0.0866 | 0.0595 | null | null | null | 0.1842 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Dago Morales, Angel; Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Márquez, Heidy; Pomés Hernández, Ramón
1-(3-Methoxybenzoyl)-3,3-diethylthiourea
Acta Crystallographica Section C
56(4)
(2000)
503-504 | 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/2/01/08/2010833.cif $
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2,010,834 | 5.422 | 0.002 | 8.3254 | 0.0019 | 12.542 | 0.004 | 90 | null | 90.39 | 0.03 | 90 | null | 566.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | strontium chromium(II) diphosphate | strontium chromium(II) diphosphate | - Cr O7 P2 Sr - | - Cr O7 P2 Sr - | - Cr4 O28 P8 Sr4 - | 4 | 1 | OS1092 | Maaß, Kai; Glaum, Robert | Strontium chromium(II) diphosphate, SrCrP~2~O~7~ | Acta Crystallographica Section C | 2,000 | 56 | 4 | 404 | 406 | 10.1107/S0108270100000226 | 0.71073 | MoKα | 0.029 | 0.027 | null | null | null | 0.076 | null | null | null | null | null | 1.096 | null | null | has coordinates,has Fobs | Maaß, Kai; Glaum, Robert
Strontium chromium(II) diphosphate, SrCrP~2~O~7~
Acta Crystallographica Section C
56(4)
(2000)
404-406 | 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/2/01/08/2010834.cif $
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2,010,835 | 9.704 | 0.002 | 19.102 | 0.004 | 17.407 | 0.004 | 90 | null | 103.85 | 0.02 | 90 | null | 3,132.8 | 1.2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | N,N'-bis-(2-tosylaminobenzylidene)benzene-1,2-diamine | - C34 H30 N4 O4 S2 - | - C34 H30 N4 O4 S2 - | - C136 H120 N16 O16 S8 - | 4 | 1 | OS1099 | Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino | <i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine | Acta Crystallographica Section C | 2,000 | 56 | 4 | 492 | 493 | 10.1107/S0108270100000809 | 0.71073 | MoKα | 0.104 | 0.057 | null | null | null | 0.143 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Mahía, José; Maestro, Miguel A.; Vázquez, Miguel; Bermejo, Manuel R.; González, Ana M.; Maneiro, Marcelino
<i>N</i>,<i>N</i>'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine
Acta Crystallographica Section C
56(4)
(2000)
492-493 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/08/2010835.cif $
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2,010,836 | 5.0864 | 0.0008 | 7.315 | 0.003 | 35.812 | 0.009 | 90 | null | 90 | 0.02 | 90 | null | 1,332.5 | 0.7 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 2-guanidinium-5-[2-(fluoromethyl)phenyl]-1,3,4-thiadiazole chloride | - C10 H9 Cl F3 N5 S - | - C10 H9 Cl F3 N5 S - | - C40 H36 Cl4 F12 N20 S4 - | 4 | 1 | OS1100 | Janes, Robert W. | 1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride | Acta Crystallographica Section C | 2,000 | 56 | 4 | 508 | 509 | 10.1107/S0108270100001669 | 1.54178 | CuKα | 0.0658 | 0.0508 | null | null | null | 0.1491 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Janes, Robert W.
1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride
Acta Crystallographica Section C
56(4)
(2000)
508-509 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,837 | 6.891 | 0.001 | 7.345 | 0.001 | 9.497 | 0.002 | 90 | null | 92.46 | 0.03 | 90 | null | 480.24 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (2R,3R,4R,5S)-2-(2-Hydroxyethyl)-3,4,5-trihydroxypiperidine hydrochloride | - C7 H16 Cl N O4 - | - C7 H16 Cl N O4 - | - C14 H32 Cl2 N2 O8 - | 2 | 1 | QA0204 | Koman, Marian; Szolcsányi, Peter; Gracza, Tibor | (2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride | Acta Crystallographica Section C | 2,000 | 56 | 4 | e138 | e138 | 10.1107/S0108270100003231 | 0.71073 | MoKα | 0.089 | 0.056 | null | 0.276 | null | 0.157 | null | null | 0.906 | null | null | 0.933 | null | null | has coordinates | Koman, Marian; Szolcsányi, Peter; Gracza, Tibor
(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride
Acta Crystallographica Section C
56(4)
(2000)
e138-e138 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,838 | 14.0685 | 0.0009 | 11.9199 | 0.0009 | 15.7428 | 0.0007 | 90 | null | 99.541 | 0.004 | 90 | null | 2,603.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | Bis[(μ-κO:O'-acetato)(μ-κO:μ-κ^2^O'-acetato){(cyclopentadienyl)tris (dimethylphosphito-P)cobalt-O,O',O"}neodymium(III)] | - C30 H58 Co2 Nd2 O26 P6 - | - C30 H58 Co2 Nd2 O26 P6 - | - C60 H116 Co4 Nd4 O52 P12 - | 2 | 0.5 | QA0226 | Roh, Soo-Gyun; Jeong, Jong Hwa | Di-μ-acetato-<i>O</i>:<i>O</i>'-di-μ-acetato-<i>O</i>,<i>O</i>':<i>O</i>'-bis{[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']neodymium(III)} | Acta Crystallographica Section C | 2,000 | 56 | 4 | e120 | e121 | 10.1107/S0108270100003243 | 0.71073 | MoKα | 0.051 | 0.044 | null | null | null | 0.123 | null | null | null | null | null | 1.027 | null | null | has coordinates,has disorder,has Fobs | Roh, Soo-Gyun; Jeong, Jong Hwa
Di-μ-acetato-<i>O</i>:<i>O</i>'-di-μ-acetato-<i>O</i>,<i>O</i>':<i>O</i>'-bis{[(cyclopentadienyl)tris(dimethylphosphito-<i>P</i>)cobalt-<i>O</i>,<i>O</i>',<i>O</i>'']neodymium(III)}
Acta Crystallographica Section C
56(4)
(2000)
e120-e121 | 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/2/01/08/2010838.cif $
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2,010,839 | 6.287 | 0.006 | 6.287 | 0.006 | 31.93 | 0.01 | 90 | null | 90 | null | 90 | null | 1,262.1 | 1.7 | 293.2 | null | null | null | null | null | null | null | 3 | P 41 21 2 | P 4abw 2nw | 92 | - C13 H8 S4 - | - C13 H8 S4 - | - C52 H32 S16 - | 4 | 0.5 | QA0227 | Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-Ichiro | 2,2'-Spirobi(1,3-benzodithiole) | Acta Crystallographica Section C | 2,000 | 56 | 4 | e160 | e161 | 10.1107/S0108270100003528 | 0.7107 | MoKα | null | 0.0347 | null | null | null | 0.0453 | null | null | null | null | null | 1.325 | null | null | has coordinates,has Fobs | Ueda, Kazumasa; Iwamatsu, Masaki; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-Ichiro
2,2'-Spirobi(1,3-benzodithiole)
Acta Crystallographica Section C
56(4)
(2000)
e160-e161 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,840 | 8.414 | 0.001 | 15.763 | 0.002 | 6.991 | 0.001 | 91.82 | 0.01 | 99.91 | 0.01 | 81.59 | 0.01 | 903.5 | 0.2 | 298 | 1 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C20 H15 N3 O6 - | - C20 H15 N3 O6 - | - C40 H30 N6 O12 - | 2 | 1 | QA0229 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e144 | e146 | 10.1107/S010827010000384X | 0.71073 | MoKα | null | 0.044 | null | null | null | 0.147 | null | null | null | null | null | 1.08 | null | null | has coordinates,has disorder | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e144-e146 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,841 | 8.504 | 0.002 | 29.533 | 0.004 | 8.568 | 0.002 | 90 | null | 108.05 | 0.02 | 90 | null | 2,045.9 | 0.8 | 298 | 1 | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C22 H19 N3 O6 - | - C22 H19 N3 O6 - | - C88 H76 N12 O24 - | 4 | 1 | QA0229 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e144 | e146 | 10.1107/S010827010000384X | 0.71073 | MoKα | null | 0.041 | null | null | null | 0.122 | null | null | null | null | null | 1.05 | null | null | has coordinates,has disorder,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e144-e146 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,842 | 16.723 | 0.002 | 16.784 | 0.003 | 8.4129 | 0.0009 | 102.36 | 0.01 | 92.34 | 0.01 | 109.91 | 0.01 | 2,152 | 0.5 | 298 | 1 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C23 H21 N3 O6 - | - C23 H21 N3 O6 - | - C92 H84 N12 O24 - | 4 | 2 | QA0229 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e144 | e146 | 10.1107/S010827010000384X | 0.71073 | MoKα | null | 0.061 | null | null | null | 0.192 | null | null | null | null | null | 1.74 | null | null | has coordinates,has disorder | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e144-e146 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,843 | 8.212 | 0.002 | 31.924 | 0.002 | 8.438 | 0.001 | 90 | null | 106.54 | 0.01 | 90 | null | 2,120.6 | 0.6 | 298 | 1 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H21 N3 O6 - | - C23 H21 N3 O6 - | - C92 H84 N12 O24 - | 4 | 1 | QA0229 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e144 | e146 | 10.1107/S010827010000384X | 0.71073 | MoKα | null | 0.049 | null | null | null | 0.165 | null | null | null | null | null | 1.03 | null | null | has coordinates,has disorder,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of <i>N</i>-methyl-, <i>N</i>-isopropyl-, <i>N</i>-butyl- and <i>N</i>-isobutylcarbazole with 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e144-e146 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,844 | 8.339 | 0.002 | 27.604 | 0.004 | 7.817 | 0.002 | 90 | null | 90 | null | 90 | null | 1,799.4 | 0.7 | 293 | 1 | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C20 H14 N4 O4 - | - C20 H14 N4 O4 - | - C80 H56 N16 O16 - | 4 | 1 | QA0230 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile | Acta Crystallographica Section C | 2,000 | 56 | 4 | e147 | e148 | 10.1107/S0108270100003851 | 0.71073 | MoKα | null | 0.063 | null | null | null | 0.162 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile
Acta Crystallographica Section C
56(4)
(2000)
e147-e148 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,845 | 16.227 | 0.002 | 6.982 | 0.002 | 17.435 | 0.002 | 90 | null | 107.3 | 0.01 | 90 | null | 1,886 | 0.6 | 293 | 1 | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C21 H16 N4 O4 - | - C21 H16 N4 O4 - | - C84 H64 N16 O16 - | 4 | 1 | QA0230 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile | Acta Crystallographica Section C | 2,000 | 56 | 4 | e147 | e148 | 10.1107/S0108270100003851 | 0.71073 | MoKα | null | 0.064 | null | null | null | 0.16 | null | null | null | null | null | 0.97 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile
Acta Crystallographica Section C
56(4)
(2000)
e147-e148 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,846 | 8.785 | 0.001 | 12.276 | 0.002 | 7.696 | 0.001 | 107.37 | 0.01 | 105.86 | 0.01 | 77.01 | 0.01 | 752.64 | 0.19 | 298 | 1 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H14 N4 O6 - | - C14 H14 N4 O6 - | - C28 H28 N8 O12 - | 2 | 1 | QA0231 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e149 | e150 | 10.1107/S0108270100003863 | 0.71073 | MoKα | null | 0.05 | null | null | null | 0.136 | null | null | null | null | null | 0.98 | null | null | has coordinates | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e149-e150 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,847 | 8.102 | 0.002 | 7.734 | 0.001 | 24.218 | 0.001 | 90 | null | 95.77 | 0.01 | 90 | null | 1,509.8 | 0.4 | 298 | 1 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H14 N4 O6 - | - C14 H14 N4 O6 - | - C56 H56 N16 O24 - | 4 | 1 | QA0231 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e149 | e150 | 10.1107/S0108270100003863 | 0.71073 | MoKα | null | 0.04 | null | null | null | 0.112 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e149-e150 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,848 | 13.774 | 0.002 | 18.615 | 0.001 | 5.888 | 0.002 | 90 | null | 90 | null | 90 | null | 1,509.7 | 0.6 | 298 | 1 | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C14 H14 N4 O6 - | - C14 H14 N4 O6 - | - C56 H56 N16 O24 - | 4 | 1 | QA0231 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid | Acta Crystallographica Section C | 2,000 | 56 | 4 | e149 | e150 | 10.1107/S0108270100003863 | 0.71073 | MoKα | null | 0.035 | null | null | null | 0.093 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid
Acta Crystallographica Section C
56(4)
(2000)
e149-e150 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,849 | 20.242 | 0.003 | 9.788 | 0.001 | 17.524 | 0.002 | 90 | null | 115.36 | 0.01 | 90 | null | 3,137.4 | 0.7 | 300 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Nonapotassium cerium tetraphosphorus hexadecasulfide | - Ce K9 P4 S16 - | - Ce K9 P4 S16 - | - Ce4 K36 P16 S64 - | 4 | 0.5 | QA0232 | Gauthier, Gilles; Jobic, Stephane; Danaire, Veronique; Brec, Raymond; Evain, Michel | K~9~CeP~4~S~16~, a new thiophosphate of cerium with discrete [Ce(PS~4~)~4~]^9{-^} anions | Acta Crystallographica Section C | 2,000 | 56 | 4 | e117 | e117 | 10.1107/S0108270100003395 | 0.71073 | MoKα | 0.037 | 0.026 | null | null | null | 0.061 | null | null | null | 1.06 | 1.06 | 1.12 | null | null | has coordinates,has Fobs | Gauthier, Gilles; Jobic, Stephane; Danaire, Veronique; Brec, Raymond; Evain, Michel
K~9~CeP~4~S~16~, a new thiophosphate of cerium with discrete [Ce(PS~4~)~4~]^9{-^} anions
Acta Crystallographica Section C
56(4)
(2000)
e117-e117 | 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/2/01/08/2010849.cif $
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2,010,850 | 12.517 | 0.002 | 11.5 | 0.003 | 16.413 | 0.002 | 90 | null | 106.893 | 0.009 | 90 | null | 2,260.6 | 0.8 | 297 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C28 H22 N2 Ni O2 - | - C28 H22 N2 Ni O2 - | - C112 H88 N8 Ni4 O8 - | 4 | 1 | QA0233 | Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru | [<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediaminato]nickel(II) | Acta Crystallographica Section C | 2,000 | 56 | 4 | e122 | e122 | 10.1107/S0108270100003255 | 0.7107 | MoKα | null | 0.044 | null | null | null | 0.109 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediaminato]nickel(II)
Acta Crystallographica Section C
56(4)
(2000)
e122-e122 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,851 | 13.409 | 0.003 | 13.656 | 0.003 | 7.432 | 0.002 | 95.03 | 0.03 | 90.11 | 0.02 | 113.99 | 0.01 | 1,237.5 | 0.5 | 295 | 1 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C10 H19 N O4 - | - C10 H19 N O4 - | - C40 H76 N4 O16 - | 4 | 2 | QA0235 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | Triethylammonium hydrogen fumarate | Acta Crystallographica Section C | 2,000 | 56 | 4 | e139 | e139 | 10.1107/S0108270100003267 | 0.71073 | MoKα | null | 0.045 | null | null | null | 0.117 | null | null | null | null | null | 1.02 | null | null | has coordinates | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
Triethylammonium hydrogen fumarate
Acta Crystallographica Section C
56(4)
(2000)
e139-e139 | 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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2,010,852 | 5.8046 | 0.0003 | 10.64 | 0.0017 | 12.9556 | 0.0014 | 109.428 | 0.011 | 102.416 | 0.007 | 90.25 | 0.008 | 734.44 | 0.16 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 | P 1 | 1 | N-3,5-dinitrobenzoyl-L-leucine | 3,5-dinitro-N`-[(1R)-1,3-dimethylbutyl]benzamide | - C13 H15 N3 O7 - | - C13 H15 N3 O7 - | - C26 H30 N6 O14 - | 2 | 2 | QA0236 | Gallagher, John F.; Kenny, Peter T. M.; O`Donohoe, Michael | Intermolecular hydrogen bonding of the two independent molecules of <i>N</i>-3,5-dinitrobenzoyl-<small>L</small>-leucine | Acta Crystallographica Section C | 2,000 | 56 | 4 | e157 | e158 | 10.1107/S0108270100003486 | 0.7107 | MoKα | 0.111 | 0.045 | null | null | null | 0.079 | null | null | null | null | null | 0.937 | null | null | has coordinates,has Fobs | Gallagher, John F.; Kenny, Peter T. M.; O`Donohoe, Michael
Intermolecular hydrogen bonding of the two independent molecules of <i>N</i>-3,5-dinitrobenzoyl-<small>L</small>-leucine
Acta Crystallographica Section C
56(4)
(2000)
e157-e158 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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2,010,853 | 13.6929 | 0.0005 | 13.6929 | 0.0005 | 14.8094 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,776.7 | 0.18 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -4 21 m | P -4 2ab | 113 | Bis(tetraethylammonium) tetraiodozincate | - C16 H40 I4 N2 Zn - | - C16 H40 I4 N2 Zn - | - C64 H160 I16 N8 Zn4 - | 4 | 0.5 | QA0237 | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L. | Bis(tetraethylammonium) tetraiodozincate at 150 and 301K | Acta Crystallographica Section C | 2,000 | 56 | 4 | e124 | e125 | 10.1107/S0108270100003383 | 0.71073 | MoKα | 0.072 | 0.048 | null | null | null | 0.122 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.
Bis(tetraethylammonium) tetraiodozincate at 150 and 301K
Acta Crystallographica Section C
56(4)
(2000)
e124-e125 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,854 | 13.8199 | 0.0006 | 13.8199 | 0.0006 | 14.8975 | 0.0007 | 90 | null | 90 | null | 90 | null | 2,845.3 | 0.2 | 301 | 2 | 301 | 2 | null | null | null | null | 5 | P -4 21 m | P -4 2ab | 113 | bis(tetraethylammonium) tertraiodozincate | - C16 H40 I4 N2 Zn - | - C16 H40 I4 N2 Zn - | - C64 H160 I16 N8 Zn4 - | 4 | 0.5 | QA0237 | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L. | Bis(tetraethylammonium) tetraiodozincate at 150 and 301K | Acta Crystallographica Section C | 2,000 | 56 | 4 | e124 | e125 | 10.1107/S0108270100003383 | 0.71073 | MoKα | 0.075 | 0.049 | null | null | null | 0.135 | null | null | null | null | null | 0.993 | null | null | has coordinates,has Fobs | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L.
Bis(tetraethylammonium) tetraiodozincate at 150 and 301K
Acta Crystallographica Section C
56(4)
(2000)
e124-e125 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,855 | 11.728 | 0.004 | 5.105 | 0.003 | 14.547 | 0.002 | 90 | null | 99.83 | 0.02 | 90 | null | 858.2 | 0.6 | 299 | 1 | null | null | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | - C18 H18 O6 Zn - | - C18 H18 O6 Zn - | - C36 H36 O12 Zn2 - | 2 | 0.5 | QA0239 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | <i>cis</i>-Diaquabis(<i>trans</i>-cinnamato-<i>O</i>,<i>O</i>')zinc(II) | Acta Crystallographica Section C | 2,000 | 56 | 4 | e123 | e123 | 10.1107/S0108270100003358 | 0.71073 | MoKα | null | 0.034 | null | null | null | 0.088 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
<i>cis</i>-Diaquabis(<i>trans</i>-cinnamato-<i>O</i>,<i>O</i>')zinc(II)
Acta Crystallographica Section C
56(4)
(2000)
e123-e123 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,856 | 6.878 | 0.003 | 19.658 | 0.003 | 26.493 | 0.002 | 90 | null | 91.33 | 0.02 | 90 | null | 3,581.1 | 1.7 | 298 | 1 | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C32 H56 O6 S2 Si - | - C32 H56 O6 S2 Si - | - C128 H224 O24 S8 Si4 - | 4 | 2 | QA0240 | Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru | ({-})-(3<i>S</i>)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol | Acta Crystallographica Section C | 2,000 | 56 | 4 | e140 | e141 | 10.1107/S010827010000336X | 0.71073 | MoKα | null | 0.051 | null | null | null | 0.13 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru
({-})-(3<i>S</i>)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol
Acta Crystallographica S... | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
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#$Revision: 301798 $
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2,010,857 | 11.2649 | 0.0001 | 13.1101 | 0.0002 | 16.6181 | 0.0003 | 90 | null | 94.2249 | 0.0003 | 90 | null | 2,447.56 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | tris(8-quinolinolato-N,O)Cobalt(III) Ethanol Solvate | - C29 H24 Co N3 O4 - | - C29 H24 Co N3 O4 - | - C116 H96 Co4 N12 O16 - | 4 | 1 | QA0241 | Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zhao, PuSu; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin | Tris(8-quinolinolato-<i>N</i>,<i>O</i>)cobalt(III) ethanol solvate | Acta Crystallographica Section C | 2,000 | 56 | 4 | e130 | e131 | 10.1107/S0108270100003516 | 0.71073 | MoKα | 0.102 | 0.055 | null | null | null | 0.147 | null | null | null | null | null | 0.973 | null | null | has coordinates,has Fobs | Shanmuga Sundara Raj, S.; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Zhao, PuSu; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin
Tris(8-quinolinolato-<i>N</i>,<i>O</i>)cobalt(III) ethanol solvate
Acta Crystallographica Section C
56(4)
(2000)
e130-e131 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,858 | 7.911 | 0.002 | 8.984 | 0.002 | 11.133 | 0.003 | 108.56 | 0.03 | 94.6 | 0.03 | 112.38 | 0.03 | 675 | 0.4 | 150 | null | 150 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | N,N'-diphenyl-1,4-phenylenediamine | - C18 H16 N2 - | - C18 H16 N2 - | - C36 H32 N4 - | 2 | 1 | QA0242 | Boyer, Isabelle; Quillard, Sophie; Corraze, Benoit; Deniard, Philippe; Evain, Michel | A second polymorphic form of <i>N</i>,<i>N</i>'-diphenyl-1,4-phenylenediamine | Acta Crystallographica Section C | 2,000 | 56 | 4 | e159 | e159 | 10.1107/S0108270100003498 | 0.71073 | MoKα | 0.046 | 0.03 | null | null | null | 0.069 | null | null | null | null | null | 1.09 | null | null | has coordinates | Boyer, Isabelle; Quillard, Sophie; Corraze, Benoit; Deniard, Philippe; Evain, Michel
A second polymorphic form of <i>N</i>,<i>N</i>'-diphenyl-1,4-phenylenediamine
Acta Crystallographica Section C
56(4)
(2000)
e159-e159 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,859 | 14.059 | 0.001 | 7.1282 | 0.0009 | 22.621 | 0.002 | 90 | null | 94.148 | 0.001 | 90 | null | 2,261 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-Phenylbutan-2-one semicarbazone | - C11 H15 N3 O - | - C11 H15 N3 O - | - C88 H120 N24 O8 - | 8 | 2 | QA0243 | Degen, Alexander; Rühl, Stephan; Bolte, Michael | 4-Phenylbutan-2-one semicarbazone | Acta Crystallographica Section C | 2,000 | 56 | 4 | e162 | e163 | 10.1107/S0108270100003802 | 0.71073 | MoKα | 0.065 | 0.046 | null | null | null | 0.109 | null | null | null | null | null | 1.065 | null | null | has coordinates,has disorder,has Fobs | Degen, Alexander; Rühl, Stephan; Bolte, Michael
4-Phenylbutan-2-one semicarbazone
Acta Crystallographica Section C
56(4)
(2000)
e162-e163 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,860 | 8.23 | 0.001 | 15.423 | 0.002 | 8.476 | 0.001 | 90 | null | 113.81 | 0.03 | 90 | null | 984.3 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H13 N3 O2 S - | - C8 H13 N3 O2 S - | - C32 H52 N12 O8 S4 - | 4 | 1 | QA0244 | Lazrak, Fatima; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael | 1,2,4-Triazolo[2,3-<i>h</i>]-7,9-thiaza-11-crown-4 | Acta Crystallographica Section C | 2,000 | 56 | 4 | e164 | e164 | 10.1107/S0108270100003814 | 0.71073 | MoKα | 0.064 | 0.038 | null | null | null | 0.081 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Lazrak, Fatima; Essassi, El-Mokhtar; El-Bali, Brahim; Bolte, Michael
1,2,4-Triazolo[2,3-<i>h</i>]-7,9-thiaza-11-crown-4
Acta Crystallographica Section C
56(4)
(2000)
e164-e164 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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