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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,000,830 | 9.266 | 0.007 | 14.57 | 0.01 | 7.404 | 0.005 | 90 | null | 108.6 | 0.06 | 90 | null | 947.4 | 1.2 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H10 O4 - | - C10 H10 O4 - | - C40 H40 O16 - | 4 | 1 | KA0011 | Lokaj, J.; Sivý, P.; Ilavsky, D.; Marchalin, S.; Vrabel, V.; Kettmann, V. | Structure of (4<i>Z</i>,6<i>Z</i>)-6-acetyl-7-hydroxy-2,4,6-octatriene-4-olide | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1063 | 1065 | 10.1107/S0108270191013021 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lokaj, J.; Sivý, P.; Ilavsky, D.; Marchalin, S.; Vrabel, V.; Kettmann, V.
Structure of (4<i>Z</i>,6<i>Z</i>)-6-acetyl-7-hydroxy-2,4,6-octatriene-4-olide
Acta Crystallographica Section C
48(6)
(1992)
1063-1065 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000830.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,831 | 29.056 | 0.009 | 13.127 | 0.003 | 10.068 | 0.002 | 90 | null | 90 | null | 90 | null | 3,840.1 | 1.7 | null | null | null | null | null | null | null | null | 3 | P b c a | null | - C20 H36 O4 - | - C20 H36 O4 - | - C160 H288 O32 - | 8 | 1 | AS0535 | Yasui, M.; Tsuchiya, T.; Iwasaki, F.; Nakayama, J. | Structure of 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1065 | 1068 | 10.1107/S010827019101301X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yasui, M.; Tsuchiya, T.; Iwasaki, F.; Nakayama, J.
Structure of 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene
Acta Crystallographica Section C
48(6)
(1992)
1065-1068 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000831.cif $
#-------------------------------------------------------------------... | ||||||||||||
7,205,768 | 6.5544 | 0.0003 | 12.7452 | 0.0004 | 19.7109 | 0.0009 | 76.69 | 0.003 | 89.615 | 0.003 | 89.59 | 0.002 | 1,602.3 | 0.12 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (cyclohexylammonium).(adamantane carboxylate) | - C17 H29 N O2 - | - C17 H29 N O2 - | - C68 H116 N4 O8 - | 4 | 2 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.1166 | 0.0915 | null | null | 0.2571 | 0.2709 | null | null | null | null | null | 1.115 | null | null | has coordinates,has disorder | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205768.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,000,832 | 15.492 | 0.002 | 6.592 | 0.001 | 17.193 | 0.002 | 90 | null | 99.96 | 0.01 | 90 | null | 1,729.3 | 0.4 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C17 H24 Cl N3 O2 - | - C17 H23 Cl N3 O2 - | - C68 H92 Cl4 N12 O8 - | 4 | 1 | AL0483 | Ciechanowicz-Rutkowska, M.; Stadnicka, K.; Filippini, G.; Pilati, T. | Structure of an anti-arrhythmic and hypotensive agent: 1-{3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl}pyrrolidin-2-one | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1068 | 1071 | 10.1107/S0108270191013112 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ciechanowicz-Rutkowska, M.; Stadnicka, K.; Filippini, G.; Pilati, T.
Structure of an anti-arrhythmic and hypotensive agent: 1-{3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropyl}pyrrolidin-2-one
Acta Crystallographica Section C
48(6)
(1992)
1068-1071 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000832.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,833 | 11.313 | 0.001 | 19.187 | 0.001 | 9.6363 | 0.0009 | 90 | null | 90 | null | 90 | null | 2,091.7 | 0.3 | null | null | null | null | null | null | null | null | 4 | P n a 21 | null | - C24 H21 N3 O3 - | - C24 H21 N3 O3 - | - C96 H84 N12 O12 - | 4 | 1 | AS0533 | Ogawa, K.; Yoshimura, S.; Takeuchi, Y.; Katritzky, A.; Murugan, R. | Structure of 1,3,5-tribenzoylperhydro-1,3,5-triazine | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1071 | 1074 | 10.1107/S0108270191013008 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ogawa, K.; Yoshimura, S.; Takeuchi, Y.; Katritzky, A.; Murugan, R.
Structure of 1,3,5-tribenzoylperhydro-1,3,5-triazine
Acta Crystallographica Section C
48(6)
(1992)
1071-1074 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000833.cif $
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2,000,834 | 6.995 | 0.002 | 14.902 | 0.005 | 9.803 | 0.004 | 90 | null | 110.33 | 0.03 | 90 | null | 958.2 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H22 N4 O4 P2 - | - C18 H22 N4 O4 P2 - | - C36 H44 N8 O8 P4 - | 2 | 0.5 | BX0558 | Englehardt, U.; Stromburg, B. | 2,8-Dioxo-2,8-diphenoxy-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1074 | 1076 | 10.1107/S0108270191013331 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Englehardt, U.; Stromburg, B.
2,8-Dioxo-2,8-diphenoxy-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan
Acta Crystallographica Section C
48(6)
(1992)
1074-1076 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000834.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,835 | 8.248 | 0.001 | 5.145 | 0.002 | 19.724 | 0.002 | 90 | null | 90.67 | 0.01 | 90 | null | 836.9 | 0.4 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C9 H10 O3 - | - C9 H10 O3 - | - C36 H40 O12 - | 4 | 1 | LI0100 | Begum, N. S.; Jain, M.; Chandrasekhar, S.; Venkatesan, K. | Structure of 3-(2-hydroxyphenyl)propionic acid | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1076 | 1078 | 10.1107/S0108270191012970 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Begum, N. S.; Jain, M.; Chandrasekhar, S.; Venkatesan, K.
Structure of 3-(2-hydroxyphenyl)propionic acid
Acta Crystallographica Section C
48(6)
(1992)
1076-1078 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000835.cif $
#-------------------------------------------------------------------... | |||||||||||
7,205,767 | 6.4663 | 0.0002 | 11.0134 | 0.0004 | 21.0375 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,498.21 | 0.1 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (cyclopentylammonium).(adamantane carboxylate) | - C16 H27 N O2 - | - C16 H27 N O2 - | - C64 H108 N4 O8 - | 4 | 1 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.0624 | 0.0475 | null | null | 0.1184 | 0.1267 | null | null | null | null | null | 1.012 | null | null | has coordinates,has disorder | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205767.cif $
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2,000,836 | 9.35 | 0.006 | 9.271 | 0.002 | 9.695 | 0.012 | 90 | null | 108.38 | 0.03 | 90 | null | 797.5 | 1.1 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C16 H20 N2 O3 - | - C16 H20 N2 O3 - | - C32 H40 N4 O6 - | 2 | 1 | LI0095 | Nigović, B.; Kojić-Prodić, B.; Puntarec, V. | Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1079 | 1082 | 10.1107/S0108270191012969 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Nigović, B.; Kojić-Prodić, B.; Puntarec, V.
Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K
Acta Crystallographica Section C
48(6)
(1992)
1079-1082 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000836.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,837 | 9.474 | 0.006 | 9.163 | 0.004 | 9.524 | 0.006 | 90 | null | 107.83 | 0.03 | 90 | null | 787.1 | 0.8 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C16 H20 N2 O3 - | - C16 H20 N2 O3 - | - C32 H40 N4 O6 - | 2 | 1 | LI0095 | Nigović, B.; Kojić-Prodić, B.; Puntarec, V. | Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1079 | 1082 | 10.1107/S0108270191012969 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Nigović, B.; Kojić-Prodić, B.; Puntarec, V.
Structure of a biologically active conjugate of auxin: <i>N</i>-indol-3-ylacetyl-<small>L</small>-norleucine at 297 and 133 K
Acta Crystallographica Section C
48(6)
(1992)
1079-1082 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,838 | 6.579 | 0.005 | 8.441 | 0.007 | 13.893 | 0.014 | 101.92 | 0.09 | 103.38 | 0.06 | 97.44 | 0.06 | 721.5 | 1.2 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C17 H14 O7 - | - C17 H14 O7 - | - C34 H28 O14 - | 2 | 1 | LI0106 | Parmar, V. S.; Vardhan, A.; Sharma, R. K.; Alcock, N. W.; Errington, W. | Structure of prudomestin | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1090 | 1092 | 10.1107/S0108270191013823 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Parmar, V. S.; Vardhan, A.; Sharma, R. K.; Alcock, N. W.; Errington, W.
Structure of prudomestin
Acta Crystallographica Section C
48(6)
(1992)
1090-1092 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000838.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,839 | 7.353 | 0.001 | 10.153 | 0.001 | 25.324 | 0.003 | 90 | null | 90 | null | 90 | null | 1,890.6 | 0.4 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C21 H32 N2 O2 - | - C21 H32 N2 O2 - | - C84 H128 N8 O8 - | 4 | 1 | HE0035 | Maes, D.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R. | Structure of (20<i>R</i>)-5α-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011) | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1092 | 1095 | 10.1107/S010827019101466X | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Maes, D.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.
Structure of (20<i>R</i>)-5α-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011)
Acta Crystallographica Section C
48(6)
(1992)
1092-1095 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000839.cif $
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7,205,766 | 6.273 | 0.0005 | 27.265 | 0.002 | 10.4419 | 0.0008 | 90 | null | 90.432 | 0.002 | 90 | null | 1,785.9 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (cyclododecylammonium).(benzoate) | - C19 H31 N O2 - | - C19 H31 N O2 - | - C76 H124 N4 O8 - | 4 | 2 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.0642 | 0.0559 | null | null | 0.1338 | 0.1384 | null | null | null | null | null | 1.011 | null | null | has coordinates | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205766.cif $
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2,000,840 | 8.564 | 0.005 | 9.439 | 0.009 | 9.566 | 0.005 | 86.01 | 0.09 | 72.3 | 0.06 | 78.09 | 0.09 | 720.8 | 1 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C16 H36 Cl6 O10 Pr2 - | - C16 H36 Cl6 O10 Pr2 - | - C16 H36 Cl6 O10 Pr2 - | 1 | 0.5 | CD0074 | Rogers, R. D.; Henry, R. F. | Structure of [PrCl~3~(EO4)]~2~ | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1099 | 1101 | 10.1107/S0108270191012763 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rogers, R. D.; Henry, R. F.
Structure of [PrCl~3~(EO4)]~2~
Acta Crystallographica Section C
48(6)
(1992)
1099-1101 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000840.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,841 | 14.533 | 0.003 | 18.004 | 0.005 | 8.538 | 0.002 | 100.37 | 0.01 | 105.92 | 0.05 | 74.69 | 0.03 | 2,058.1 | 1 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C10 H20 Au F6 N2 S4 Sb - | - C10 H20 Au F6 N2 S4 Sb - | - C40 H80 Au4 F24 N8 S16 Sb4 - | 4 | 2 | AS0529 | Hong, M.; Huang, Z.; Lei, X.; Jiang, F.; Liu, H. | Structure of bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)gold(III) hexafluoroantimonate | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1101 | 1102 | 10.1107/S010827019101291X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Hong, M.; Huang, Z.; Lei, X.; Jiang, F.; Liu, H.
Structure of bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)gold(III) hexafluoroantimonate
Acta Crystallographica Section C
48(6)
(1992)
1101-1102 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000841.cif $
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2,000,842 | 16.908 | 0.002 | 27.038 | 0.003 | 9.531 | 0.001 | 93.88 | 0.01 | 95.71 | 0.01 | 106.86 | 0.01 | 4,127.8 | 0.8 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C45 H39 Fe N O6 P2 - | - C45 H39 Fe N O6 P2 - | - C180 H156 Fe4 N4 O24 P8 - | 4 | 2 | PA0260 | Brunet, J.-J.; Dahan, F.; Passelaigue, E. | Structure of bis(triphenylphosphine)iminium tetracarbonyl(α-ethoxycarbonylethyl)ferrate: [{(C~6~H~5~)~3~P}~2~N][Fe(CO)~4~{CH(CH~3~)COOC~2~H~5~}] | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1103 | 1105 | 10.1107/S0108270191012945 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Brunet, J.-J.; Dahan, F.; Passelaigue, E.
Structure of bis(triphenylphosphine)iminium tetracarbonyl(α-ethoxycarbonylethyl)ferrate: [{(C~6~H~5~)~3~P}~2~N][Fe(CO)~4~{CH(CH~3~)COOC~2~H~5~}]
Acta Crystallographica Section C
48(6)
(1992)
1103-1105 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000842.cif $
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2,000,843 | 8.027 | 0.001 | 5.725 | 0.002 | 11.43 | 0.002 | 90 | null | 97.08 | 0.01 | 90 | null | 521.3 | 0.2 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - Cl4 Fe H14 N4 O2 - | - Cl4 Fe H14 N4 O2 - | - Cl8 Fe2 H28 N8 O4 - | 2 | 0.5 | AB0163 | Kumar, N. R. S.; Nethaji, M. | Structure of diaquadichlorobis(hydrazinium)iron(II) dichloride | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1105 | 1107 | 10.1107/S010827019101329X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kumar, N. R. S.; Nethaji, M.
Structure of diaquadichlorobis(hydrazinium)iron(II) dichloride
Acta Crystallographica Section C
48(6)
(1992)
1105-1107 | 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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2,000,844 | 6.73 | 0.001 | 8.366 | 0.001 | 8.835 | 0.001 | 74.15 | 0.01 | 74.32 | 0.01 | 72.27 | 0.01 | 446.19 | 0.1 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C4 H6 F K N2 O6 S - | - C4 H6 F K N2 O6 S - | - C8 H12 F2 K2 N4 O12 S2 - | 2 | 1 | GE0289 | Antolini, L.; Pecorari, P. | Structure of potassium 5-fluoro-5,6-dihydrouracil-6-sulfonate monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1107 | 1109 | 10.1107/S0108270191013550 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Antolini, L.; Pecorari, P.
Structure of potassium 5-fluoro-5,6-dihydrouracil-6-sulfonate monohydrate
Acta Crystallographica Section C
48(6)
(1992)
1107-1109 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,765 | 6.4482 | 0.0001 | 9.0987 | 0.0002 | 12.4471 | 0.0002 | 86.603 | 0.001 | 87.899 | 0.001 | 77.976 | 0.001 | 712.78 | 0.02 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (cyclooctylammonium).(benzoate) | - C15 H23 N O2 - | - C15 H23 N O2 - | - C30 H46 N2 O4 - | 2 | 1 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.0494 | 0.0419 | null | null | 0.111 | 0.1162 | null | null | null | null | null | 1.048 | null | null | has coordinates | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205765.cif $
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2,000,845 | 9.623 | 0.002 | 8.202 | 0.001 | 18.757 | 0.003 | 90 | null | 96.2 | 0.01 | 90 | null | 1,471.8 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C15 H15 N O S Sn - | - C15 H15 N O S Sn - | - C60 H60 N4 O4 S4 Sn4 - | 4 | 1 | LI0115 | Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G. | Structure of [<i>N</i>-(2-mercaptophenyl)salicylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]dimethyltin(IV) | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1109 | 1110 | 10.1107/S0108270191013045 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.
Structure of [<i>N</i>-(2-mercaptophenyl)salicylideneaminato-<i>N</i>,<i>O</i>,<i>S</i>]dimethyltin(IV)
Acta Crystallographica Section C
48(6)
(1992)
1109-1110 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000845.cif $
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2,000,846 | 23.659 | 0.008 | 32.794 | 0.01 | 10.042 | 0.005 | 90 | null | 90 | null | 90 | null | 7,791 | 5 | null | null | null | null | null | null | null | null | 7 | F d d 2 | null | - C8 H24 Cl2 F6 Ir N2 P3 - | - C8 H24 Cl2 F6 Ir N2 P3 - | - C128 H384 Cl32 F96 Ir16 N32 P48 - | 16 | 1 | AS0553 | Uekusa, H.; Ohba, S.; Simonsen, K. P.; Kojima, M.; Fujita, J. | Structure of <i>trans</i>(Cl,Cl),<i>trans</i>(P,P)-dichlorobis{[2-(dimethylphosphino)ethyl]amine-<i>N</i>,<i>P</i>}iridium(III) hexafluorophosphate, [IrCl~2~(edmp)~2~].PF~6~ | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1111 | 1112 | 10.1107/S0108270191013185 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Uekusa, H.; Ohba, S.; Simonsen, K. P.; Kojima, M.; Fujita, J.
Structure of <i>trans</i>(Cl,Cl),<i>trans</i>(P,P)-dichlorobis{[2-(dimethylphosphino)ethyl]amine-<i>N</i>,<i>P</i>}iridium(III) hexafluorophosphate, [IrCl~2~(edmp)~2~].PF~6~
Acta Crystallographica Section C
48(6)
(1992)
1111-1112 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000846.cif $
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2,000,847 | 7.552 | 0.002 | 8.114 | 0.002 | 9.714 | 0.004 | 93.88 | 0.02 | 102.04 | 0.03 | 114.8 | 0.02 | 520.3 | 0.3 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C3 H11 Cl3 O3 Sn - | - C3 H11 Cl3 O3 Sn - | - C6 H22 Cl6 O6 Sn2 - | 2 | 1 | BX0564 | Reuter, H.; Schröder, D. | Trichloromethoxytin(IV) dimethanolate, SnCl~3~(OCH~3~).2CH~3~OH | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1112 | 1114 | 10.1107/S0108270191013288 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Reuter, H.; Schröder, D.
Trichloromethoxytin(IV) dimethanolate, SnCl~3~(OCH~3~).2CH~3~OH
Acta Crystallographica Section C
48(6)
(1992)
1112-1114 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208360 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000847.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,848 | 6.906 | 0.003 | 14.545 | 0.003 | 21.236 | 0.009 | 90 | null | 99.05 | 0.02 | 90 | null | 2,106.6 | 1.4 | null | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | null | - C13 H23 Co F9 N4 O3 P - | - C13 H23 Co F13 N4 O3 P - | - C52 H92 Co4 F52 N16 O12 P4 - | 4 | 1 | GE0283 | Geremia, S.; Rahman, A.; Zangrando, E. | Structure of aqua{[3,3'-(1,3-propanediyldinitrilo)bis(2-butanone oximato)]-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(2,2,2-trifluoroethyl)cobalt(III) hexafluorophosphate | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1114 | 1116 | 10.1107/S0108270191013562 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Geremia, S.; Rahman, A.; Zangrando, E.
Structure of aqua{[3,3'-(1,3-propanediyldinitrilo)bis(2-butanone oximato)]-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(2,2,2-trifluoroethyl)cobalt(III) hexafluorophosphate
Acta Crystallographica Section C
48(6)
(1992)
1114-1116 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000848.cif $
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7,205,764 | 29.9753 | 0.0005 | 29.9753 | 0.0005 | 6.0374 | 0.0002 | 90 | null | 90 | null | 90 | null | 5,424.7 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | I 41/a :2 | -I 4ad | 88 | (cycloheptylammonium).(benzoate) | - C14 H21 N O2 - | - C14 H21 N O2 - | - C224 H336 N16 O32 - | 16 | 1 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.0742 | 0.0442 | null | null | 0.0974 | 0.1117 | null | null | null | null | null | 1.021 | null | null | has coordinates,has disorder | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205764.cif $
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2,000,849 | 11.418 | 0.002 | 7.989 | 0.001 | 11.231 | 0.002 | 90 | null | 106.36 | 0.01 | 90 | null | 983 | 0.3 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C10 H12 O4 - | - C10 H12 O4 - | - C40 H48 O16 - | 4 | 1 | AL0507 | Blaser, D.; Stoeckli-Evans, H. | Structure of the methyl ester of everninic acid (methyl 2-hydroxy-4-methoxy-6-methylbenzoate) | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1124 | 1125 | 10.1107/S0108270191012738 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blaser, D.; Stoeckli-Evans, H.
Structure of the methyl ester of everninic acid (methyl 2-hydroxy-4-methoxy-6-methylbenzoate)
Acta Crystallographica Section C
48(6)
(1992)
1124-1125 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000849.cif $
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2,000,850 | 7.931 | 0.001 | 7.95 | 0.001 | 8.929 | 0.001 | 90 | null | 102.81 | 0.01 | 90 | null | 548.97 | 0.12 | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | null | - C11 H14 O4 - | - C11 H14 O4 - | - C22 H28 O8 - | 2 | 1 | AL0508 | Blaser, D.; Gunzinger, J.; Stoeckli-Evans, H.; Tabacchi, R. | Structure of 2-methoxy methyl β-orcinol carboxylate (methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate) | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1126 | 1127 | 10.1107/S010827019101274X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blaser, D.; Gunzinger, J.; Stoeckli-Evans, H.; Tabacchi, R.
Structure of 2-methoxy methyl β-orcinol carboxylate (methyl 4-hydroxy-2-methoxy-3,6-dimethylbenzoate)
Acta Crystallographica Section C
48(6)
(1992)
1126-1127 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000850.cif $
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2,000,851 | 13.59 | 0.01 | 10.62 | 0.01 | 7.59 | 0.01 | 110 | 0.1 | 106.2 | 0.1 | 91.4 | 0.1 | 980 | 2 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C26 H13 F6 N - | - C26 H13 F6 N - | - C52 H26 F12 N2 - | 2 | 1 | AL0494 | Halfpenny, J. | Structure of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3<i>H</i>-naphtho[2,1-<i>b</i>]azepine | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1127 | 1129 | 10.1107/S0108270191012349 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Halfpenny, J.
Structure of 6,7,8,9,10,11-hexafluoro-2,4-diphenyl-3<i>H</i>-naphtho[2,1-<i>b</i>]azepine
Acta Crystallographica Section C
48(6)
(1992)
1127-1129 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000851.cif $
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2,000,852 | 9.027 | 0.004 | 3.922 | 0.001 | 13.396 | 0.006 | 90 | null | 93.127 | 0.003 | 90 | null | 473.6 | 0.3 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C14 H8 O2 - | - C14 H8 O2 - | - C28 H16 O4 - | 2 | 0.5 | PA0245 | Bideau, J.-P.; Cotrait, M.; Buisson, J.-P.; Demerseman, P. | Structure cristalline du [1]benzopyrano[6,5,4-<i>def</i>][1]benzopyrane (1,6-dioxapyrène) | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1129 | 1131 | 10.1107/S0108270191012647 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bideau, J.-P.; Cotrait, M.; Buisson, J.-P.; Demerseman, P.
Structure cristalline du [1]benzopyrano[6,5,4-<i>def</i>][1]benzopyrane (1,6-dioxapyrène)
Acta Crystallographica Section C
48(6)
(1992)
1129-1131 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000852.cif $
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7,205,763 | 22.1824 | 0.0012 | 35.8905 | 0.0019 | 6.3763 | 0.0003 | 90 | null | 90 | null | 90 | null | 5,076.4 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | F d d 2 | F 2 -2d | 43 | (cyclohexylammonium).(benzoate) | - C13 H19 N O2 - | - C13 H19 N O2 - | - C208 H304 N16 O32 - | 16 | 1 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.1048 | 0.0702 | null | null | 0.1936 | 0.2219 | null | null | null | null | null | 1.007 | null | null | has coordinates,has disorder | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205763.cif $
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2,000,853 | 4.762 | 0.001 | 11.196 | 0.004 | 21.421 | 0.007 | 90 | null | 90 | null | 90 | null | 1,142.1 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C11 H13 F O2 S - | - C11 H13 F O2 S - | - C44 H52 F4 O8 S4 - | 4 | 1 | GE0292 | Fabrizi, G.; Fedeli, W.; Lamba, D. | Structure of 2-(fluoromethyl)-2-[(<i>p</i>-tolylsulfinyl)methyl]oxirane | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1131 | 1133 | 10.1107/S0108270191013574 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fabrizi, G.; Fedeli, W.; Lamba, D.
Structure of 2-(fluoromethyl)-2-[(<i>p</i>-tolylsulfinyl)methyl]oxirane
Acta Crystallographica Section C
48(6)
(1992)
1131-1133 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000853.cif $
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2,000,854 | 7.752 | 0.004 | 7.539 | 0.003 | 12.096 | 0.007 | 90 | null | 106.77 | 0.04 | 90 | null | 676.9 | 0.6 | null | null | null | null | null | null | null | null | 6 | P 1 c 1 | null | - C9 H18 F6 N O P - | - C9 H18 F6 N O P - | - C18 H36 F12 N2 O2 P2 - | 2 | 1 | HE0037 | Simpson, S. J. | 2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1137 | 1138 | 10.1107/S0108270191013252 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Simpson, S. J.
2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate
Acta Crystallographica Section C
48(6)
(1992)
1137-1138 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000854.cif $
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2,000,855 | 6.46 | 0.002 | 8.917 | 0.003 | 15.616 | 0.005 | 83.6 | 0.03 | 83.41 | 0.02 | 89.52 | 0.02 | 888 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 | P 1 | 1 | - C15 H26 O4 S2 - | - C15 H26 O4 S2 - | - C30 H52 O8 S4 - | 2 | 2 | ST0549 | Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E. | Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1145 | 1148 | 10.1107/S0108270191013379 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.
Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer
Acta Crystallographica Section C
48(6)
(1992)
1145-1148 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000855.cif $
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2,000,856 | 8.1849 | 0.0008 | 8.9456 | 0.0014 | 12.0258 | 0.0014 | 90 | null | 100.878 | 0.008 | 90 | null | 864.69 | 0.19 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | null | - C15 H26 O4 S2 - | - C15 H26 O4 S2 - | - C30 H52 O8 S4 - | 2 | 1 | ST0549 | Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E. | Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1145 | 1148 | 10.1107/S0108270191013379 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lynch, V. M.; Lee, W.-C.; Martin, S. F.; Davis, B. E.
Structure of a protected C3-C10 subunit of erythromycin and its C8 epimer
Acta Crystallographica Section C
48(6)
(1992)
1145-1148 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000856.cif $
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2,000,857 | 6.3847 | 0.0008 | 10.234 | 0.001 | 22.251 | 0.003 | 90 | null | 90 | null | 90 | null | 1,453.9 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H17 N3 O - | - C17 H17 N3 O - | - C68 H68 N12 O4 - | 4 | 1 | PA0257 | Rodier, N.; Cense, J.-M.; Robert, J.-M.; Le Baut, G. | <i>N</i>-(4,6-Diméthylpyridin-2-yl)(1-méthylindol-2-yl)carboxamide | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1148 | 1150 | 10.1107/S0108270191013732 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rodier, N.; Cense, J.-M.; Robert, J.-M.; Le Baut, G.
<i>N</i>-(4,6-Diméthylpyridin-2-yl)(1-méthylindol-2-yl)carboxamide
Acta Crystallographica Section C
48(6)
(1992)
1148-1150 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,762 | 6.0786 | 0.0004 | 10.5312 | 0.0008 | 17.6034 | 0.0012 | 90 | null | 90 | null | 90 | null | 1,126.88 | 0.14 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (cyclopentylammonium).(benzoate) | - C12 H17 N O2 - | - C12 H17 N O2 - | - C48 H68 N4 O8 - | 4 | 1 | Lemmerer, Andreas | Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12 | CrystEngComm | 2,011 | 13 | 8 | 2849 | 10.1039/c0ce00749h | 0.71073 | MoKα | 0.0724 | 0.0487 | null | null | 0.1098 | 0.1241 | null | null | null | null | null | 1.091 | null | null | has coordinates | Lemmerer, Andreas
Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
CrystEngComm
13(8)
(2011)
2849 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,858 | 7.746 | 0.003 | 11.965 | 0.005 | 12.538 | 0.004 | 90 | null | 91.86 | 0.03 | 90 | null | 1,161.4 | 0.8 | null | null | null | null | null | null | null | null | 6 | P 1 21 1 | null | - C5 H15 N O4 S2 Si - | - C5 H15 N O4 S2 Si - | - C20 H60 N4 O16 S8 Si4 - | 4 | 2 | HA0087 | Jones, P. G.; Weinkauf, A. | Redetermination of the structure of <i>N</i>-(trimethylsilyl)dimesylamine [(H~3~C)~3~SiN(SO~2~CH~3~)~2~] at 178 K | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1150 | 1151 | 10.1107/S0108270191013355 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Weinkauf, A.
Redetermination of the structure of <i>N</i>-(trimethylsilyl)dimesylamine [(H~3~C)~3~SiN(SO~2~CH~3~)~2~] at 178 K
Acta Crystallographica Section C
48(6)
(1992)
1150-1151 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,859 | 19.057 | 0.007 | 7.473 | 0.003 | 7.286 | 0.003 | 90 | null | 94.76 | 0.03 | 90 | null | 1,034 | 0.7 | 297 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-phenylpyridazino[2,1-f][1,2,4]triazin-4-one | - C12 H8 N4 O - | - C12 H8 N4 O - | - C48 H32 N16 O4 - | 4 | 1 | AS1002 | Yamaguchi, K.; Takahashi, H.; Itoh, T.; Ohsawa, A. | Two azabenzotriazines | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1152 | 1154 | 10.1107/S0108270192002725 | 1.5405 | CuKα_1 | null | 0.058 | null | null | 0.065 | null | null | null | null | 1.03 | 1.03 | null | null | null | has coordinates | Yamaguchi, K.; Takahashi, H.; Itoh, T.; Ohsawa, A.
Two azabenzotriazines
Acta Crystallographica Section C
48(6)
(1992)
1152-1154 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,860 | 14.452 | 0.002 | 10.257 | 0.001 | 7.048 | 0.003 | 90 | null | 98.11 | 0.02 | 90 | null | 1,034.3 | 0.5 | 297 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-phenylpyrazino[3,2-f][1,2,4]triazin-4-one | - C12 H8 N4 O - | - C12 H8 N4 O - | - C48 H32 N16 O4 - | 4 | 1 | AS1002 | Yamaguchi, K.; Takahashi, H.; Itoh, T.; Ohsawa, A. | Two azabenzotriazines | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1152 | 1154 | 10.1107/S0108270192002725 | 1.5405 | CuKα_1 | null | 0.062 | null | null | 0.054 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Yamaguchi, K.; Takahashi, H.; Itoh, T.; Ohsawa, A.
Two azabenzotriazines
Acta Crystallographica Section C
48(6)
(1992)
1152-1154 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,861 | 5.493 | 0.004 | 7.262 | 0.005 | 22.459 | 0.015 | 98.51 | 0.03 | 93.75 | 0.03 | 102.53 | 0.02 | 860.5 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 3-Hydroxy-1-oxatricyclo[4.3.0^2,8^.0^3,7^]-8-undecene (compound 3) | - C10 H14 O2 - | - C10 H14 O2 - | - C40 H56 O8 - | 4 | 2 | KA1000 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P. | Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1155 | 1160 | 10.1107/S0108270192002993 | 0.71069 | MoKα | null | 0.0351 | null | null | 0.0452 | null | null | null | null | 0.5248 | 0.5248 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.
Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol
Acta Crystallographica Section C
48(6)
(1992)
1155-116... | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,761 | 9.801 | 0.003 | 17.308 | 0.005 | 9.009 | 0.002 | 90 | null | 106 | 0.004 | 90 | null | 1,469 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H20 N3 O0.5 - | - C17 H19 N3 O0.5 - | - C68 H76 N12 O2 - | 4 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0883 | 0.0652 | null | null | 0.1574 | 0.1716 | null | null | null | null | null | 1.06 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,000,862 | 7.741 | 0.001 | 21.032 | 0.011 | 6.05 | 0.001 | 90 | null | 99.43 | 0.01 | 90 | null | 971.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | 9,10-Epoxy-3-hydroxy-1-oxatricyclo[4.4.0^2,9^.0^3,8^]dodecane compound (4) | - C11 H16 O3 - | - C11 H16 O3 - | - C44 H64 O12 - | 4 | 1 | KA1000 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P. | Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1155 | 1160 | 10.1107/S0108270192002993 | 1.54178 | CuKα | null | 0.0475 | null | null | 0.0787 | null | null | null | null | 1.0944 | 1.0944 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Girardot, S.; Caubère, P.
Structural aspects of reactions based on `aggregative activation': structures of 3-oxatricyclo[6.3.0.0^2,7^]undec-6-en-1-ol and 6,7-epoxy-3-oxatricyclo[6.4.0.0^2,7^]dodecan-1-ol
Acta Crystallographica Section C
48(6)
(1992)
1155-116... | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,760 | 13.941 | 0.008 | 15.599 | 0.009 | 9.412 | 0.005 | 90 | null | 99.499 | 0.011 | 90 | null | 2,019 | 2 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H25 N3 O3 - | - C24 H25 N3 O3 - | - C96 H100 N12 O12 - | 4 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.1209 | 0.1056 | null | null | 0.3023 | 0.3101 | null | null | null | null | null | 1.255 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,863 | 4.752 | 0.001 | 11.721 | 0.004 | 4.971 | 0.001 | 90 | null | 90 | null | 90 | null | 276.88 | 0.12 | null | null | null | null | null | null | null | null | 3 | P b c n | -P 2n 2ab | null | - F4 In Li - | - F4 In Li - | - F16 In4 Li4 - | 4 | 0.5 | DU0320 | Gravereau, P.; Chaminade, J. P.; Gaewdang, T.; Grannec, J.; Pouchard, M.; Hagenmuller, P. | Structure of lithium tetrafluoroindate | Acta Crystallographica Section C | 1,992 | 48 | 5 | 769 | 771 | 10.1107/S0108270191011915 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gravereau, P.; Chaminade, J. P.; Gaewdang, T.; Grannec, J.; Pouchard, M.; Hagenmuller, P.
Structure of lithium tetrafluoroindate
Acta Crystallographica Section C
48(5)
(1992)
769-771 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,864 | 8.849 | 0.002 | 3.937 | 0.001 | 14.348 | 0.005 | 90 | null | 90 | null | 90 | null | 499.9 | 0.2 | null | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - Eu Se3 Zr - | - Eu Se3 Zr - | - Eu4 Se12 Zr4 - | 4 | 0.5 | ST0540 | Mar, A.; Ibers, J. A. | Structure of europium zirconium selenide, EuZrSe~3~ | Acta Crystallographica Section C | 1,992 | 48 | 5 | 771 | 773 | 10.1107/S0108270191011599 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mar, A.; Ibers, J. A.
Structure of europium zirconium selenide, EuZrSe~3~
Acta Crystallographica Section C
48(5)
(1992)
771-773 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
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2,000,865 | 5.952 | 0.001 | 13.576 | 0.002 | 7.908 | 0.001 | 90 | null | 90.53 | 0.01 | 90 | null | 638.9 | null | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - Co D8 O8 S - | - Co D8 O8 S - | - Co4 D32 O32 S4 - | 4 | 1 | AB0252 | Kellersohn, T. | Structure of cobalt sulfate tetrahydrate | Acta Crystallographica Section C | 1,992 | 48 | 5 | 776 | 779 | 10.1107/S0108270191012003 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kellersohn, T.
Structure of cobalt sulfate tetrahydrate
Acta Crystallographica Section C
48(5)
(1992)
776-779 | 287,555 | 2023-11-12 | 10:38:26 | #------------------------------------------------------------------------------
#$Date: 2023-11-12 12:37:04 +0200 (Sun, 12 Nov 2023) $
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2,000,866 | 14.37 | 0.003 | 14.99 | 0.003 | 13.324 | 0.003 | 110.3 | 0.02 | 94.91 | 0.02 | 110.38 | 0.02 | 2,452.8 | 1.1 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C51 H48 Mo O11 P2 S - | - C51 H50 Mo O11 P2 S - | - C102 H100 Mo2 O22 P4 S2 - | 2 | 1 | BR0008 | Gibson, D. H.; Richardson, J. F.; Franco, J. O. | Dicarbonyl(η^5^-cyclopentadienyl)(triphenylphosphite)[(triphenylphosphonio)methanide]molybdenum <i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,992 | 48 | 5 | 782 | 785 | 10.1107/S0108270191011824 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gibson, D. H.; Richardson, J. F.; Franco, J. O.
Dicarbonyl(η^5^-cyclopentadienyl)(triphenylphosphite)[(triphenylphosphonio)methanide]molybdenum <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
48(5)
(1992)
782-785 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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7,205,759 | 10.3222 | 0.0016 | 10.7865 | 0.0017 | 10.8589 | 0.0017 | 111.053 | 0.002 | 115.931 | 0.002 | 99.711 | 0.002 | 935.2 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C20 H23 N3 O4 - | - C20 H23 N3 O4 - | - C40 H46 N6 O8 - | 2 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0715 | 0.0565 | null | null | 0.1223 | 0.1295 | null | null | null | null | null | 1.087 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,867 | 14.457 | 0.004 | 21.38 | 0.006 | 10.209 | 0.003 | 90 | null | 90 | null | 90 | null | 3,155.5 | 1.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C28 H42 N3 O9 Tc - | - C28 H29 N4 O10 Tc - | - C112 H116 N16 O40 Tc4 - | 4 | 1 | CD0058 | Rochon, F. D.; Melanson, R.; Kong, P.-C. | Structure of bis(4-nitro-1,2-catecholato)oxotechnetium(V) | Acta Crystallographica Section C | 1,992 | 48 | 5 | 785 | 788 | 10.1107/S010827019101185X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rochon, F. D.; Melanson, R.; Kong, P.-C.
Structure of bis(4-nitro-1,2-catecholato)oxotechnetium(V)
Acta Crystallographica Section C
48(5)
(1992)
785-788 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,868 | 17.094 | 0.002 | 16.842 | 0.001 | 15.198 | 0.002 | 90 | null | 123 | 0.01 | 90 | null | 3,669.6 | 0.8 | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - C4 H10 Mg N4 O6 - | - C4 H10 Mg N4 O6 - | - C64 H160 Mg16 N64 O96 - | 16 | 2 | AS0495 | Yamagata, K.; Achiwa, N.; Hashimoto, M.; Koyano, N.; Ridwan; Iwata, Y.; Shibuya, I. | Magnesium formate-urea (1/2) | Acta Crystallographica Section C | 1,992 | 48 | 5 | 793 | 795 | 10.1107/S0108270191012301 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yamagata, K.; Achiwa, N.; Hashimoto, M.; Koyano, N.; Ridwan; Iwata, Y.; Shibuya, I.
Magnesium formate-urea (1/2)
Acta Crystallographica Section C
48(5)
(1992)
793-795 | 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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2,000,869 | 15.204 | 0.003 | 12.825 | 0.002 | 11.006 | 0.002 | 84.18 | 0.02 | 110.18 | 0.02 | 105.22 | 0.02 | 1,943.5 | 0.7 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C40 H32 Cu2 N6 O15 - | - C40 H32 Cu2 N6 O15 - | - C80 H64 Cu4 N12 O30 - | 2 | 1 | AL0502 | Aguiló, M.; Solans, X.; Castro, I.; Faus, J.; Julve, M. | Two different (croconato)(2,2':6',2''-terpyridyl)copper(II) complexes in one single crystal: structure of [Cu(C~15~H~11~N~3~)(H~2~O)(C~5~O~5~)][Cu(C~15~H~11~N~3~)(C~5~O~5~)].4H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 5 | 802 | 806 | 10.1107/S0108270191012325 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Aguiló, M.; Solans, X.; Castro, I.; Faus, J.; Julve, M.
Two different (croconato)(2,2':6',2''-terpyridyl)copper(II) complexes in one single crystal: structure of [Cu(C~15~H~11~N~3~)(H~2~O)(C~5~O~5~)][Cu(C~15~H~11~N~3~)(C~5~O~5~)].4H~2~O
Acta Crystallographica Section C
48(5)
(1992)
802-806 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,758 | 8.93 | 0.003 | 9.877 | 0.003 | 22.497 | 0.006 | 90 | null | 90 | null | 90 | null | 1,984.3 | 1 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C21 H23 N3 O4 - | - C21 H23 N3 O4 - | - C84 H92 N12 O16 - | 4 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0688 | 0.0458 | null | null | 0.0888 | 0.0964 | null | null | null | null | null | 1.015 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 202,017 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
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2,000,870 | 13.229 | 0.002 | 11.069 | 0.002 | 12.849 | 0.001 | 90 | null | 117.92 | 0.09 | 90 | null | 1,662.5 | 1.4 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C17 H11 Au Br N5 - | - C17 H11 Au Br N5 - | - C68 H44 Au4 Br4 N20 - | 4 | 1 | GE0297 | Ferretti, V.; Gilli, P.; Bertolasi, V.; Marangoni, G.; Pitteri, B.; Chessa, G. | Structure of bromodicyano(2,2':6',2''-terpyridine)gold(III) | Acta Crystallographica Section C | 1,992 | 48 | 5 | 814 | 817 | 10.1107/S0108270191012830 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ferretti, V.; Gilli, P.; Bertolasi, V.; Marangoni, G.; Pitteri, B.; Chessa, G.
Structure of bromodicyano(2,2':6',2''-terpyridine)gold(III)
Acta Crystallographica Section C
48(5)
(1992)
814-817 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000870.cif $
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2,000,871 | 11.471 | 0.002 | 12.555 | 0.003 | 13.159 | 0.002 | 90 | null | 91.83 | 0.02 | 90 | null | 1,894.2 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C19 H15 Cl2 O4 P - | - C19 H15 Cl2 O4 P - | - C76 H60 Cl8 O16 P4 - | 4 | 1 | HA0048 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. Structure of the diphenyl phosphate ester of 2,6-dichlorobenzyl alcohol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 824 | 826 | 10.1107/S0108270191012131 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structure of the diphenyl phosphate ester of 2,6-dichlorobenzyl alcohol
Acta Crystallographica Section C
48(5)
(1992)
824-826 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000871.cif $
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2,000,872 | 27.83 | 0.016 | 5.82 | 0.003 | 18.389 | 0.015 | 90 | null | 106.46 | 0.06 | 90 | null | 2,856 | 3 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C14 H14 N2 O6 - | - C14 H14 N2 O6 - | - C112 H112 N16 O48 - | 8 | 2 | HA0049 | Jones, P. G.; Schmidt-Bäse, K.; Edwards, M. R.; Kirby, A. J. | Bond length and reactivity. Structure of 2-<i>endo</i>-bornyl <i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,992 | 48 | 5 | 826 | 829 | 10.1107/S0108270191012143 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Schmidt-Bäse, K.; Edwards, M. R.; Kirby, A. J.
Bond length and reactivity. Structure of 2-<i>endo</i>-bornyl <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
48(5)
(1992)
826-829 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,757 | 9.801 | 0.003 | 17.308 | 0.005 | 9.009 | 0.002 | 90 | null | 106 | 0.004 | 90 | null | 1,469 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H20 N3 O0.5 - | - C17 H19 N3 O0.529 - | - C68 H76 N12 O2.116 - | 4 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0883 | 0.0652 | null | null | 0.1554 | 0.1693 | null | null | null | null | null | 1.067 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205757.cif $
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2,000,873 | 7.9995 | 0.0014 | 9.87 | 0.002 | 11.975 | 0.002 | 112.84 | 0.02 | 105.1 | 0.02 | 93.56 | 0.02 | 827 | 0.3 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C17 H24 O3 S - | - C17 H24 O3 S - | - C34 H48 O6 S2 - | 2 | 1 | HA0049 | Jones, P. G.; Schmidt-Bäse, K.; Edwards, M. R.; Kirby, A. J. | Bond length and reactivity. Structure of 2-<i>endo</i>-bornyl <i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,992 | 48 | 5 | 826 | 829 | 10.1107/S0108270191012143 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Schmidt-Bäse, K.; Edwards, M. R.; Kirby, A. J.
Bond length and reactivity. Structure of 2-<i>endo</i>-bornyl <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
48(5)
(1992)
826-829 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,874 | 15.415 | 0.003 | 9.003 | 0.002 | 15.454 | 0.003 | 90 | null | 114.32 | 0.02 | 90 | null | 1,954.4 | 0.8 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C26 H24 O - | - C26 H24 O - | - C104 H96 O4 - | 4 | 1 | HA0050 | Jones, P. G.; Kirby, A. J.; Percy, J. M. | Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 829 | 832 | 10.1107/S0108270191012155 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Percy, J. M.
Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol
Acta Crystallographica Section C
48(5)
(1992)
829-832 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000874.cif $
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2,000,875 | 9.3638 | 0.0012 | 10.4685 | 0.001 | 12.827 | 0.002 | 90 | null | 94.875 | 0.012 | 90 | null | 1,252.8 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C14 H13 N O4 - | - C14 H13 N O4 - | - C56 H52 N4 O16 - | 4 | 1 | HA0050 | Jones, P. G.; Kirby, A. J.; Percy, J. M. | Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 829 | 832 | 10.1107/S0108270191012155 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Percy, J. M.
Bond length and reactivity. Structures of the triphenylmethyl ether and the 4-nitrobenzoate ester of <i>anti</i>-7-norbornenol
Acta Crystallographica Section C
48(5)
(1992)
829-832 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000875.cif $
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7,205,756 | 8.539 | 0.003 | 13.703 | 0.004 | 17.468 | 0.005 | 90 | null | 103.311 | 0.005 | 90 | null | 1,989 | 1.1 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H27 Cl2 N3 O3 - | - C17 H27 Cl2 N3 O3 - | - C68 H108 Cl8 N12 O12 - | 4 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0606 | 0.0499 | null | null | 0.1206 | 0.1266 | null | null | null | null | null | 1.094 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205756.cif $
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2,000,876 | 7.353 | 0.001 | 8.136 | 0.001 | 24.307 | 0.004 | 94.44 | 0.01 | 89.81 | 0.01 | 105.51 | 0.01 | 1,396.8 | 0.4 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C15 H16 O3 S - | - C15 H16 O3 S - | - C60 H64 O12 S4 - | 4 | 2 | HA0051 | Kirby, A. J.; Parker, J. K.; Raithby, P. R. | Bond length and reactivity. Structure of 2-phenylethyl <i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,992 | 48 | 5 | 832 | 834 | 10.1107/S0108270191012167 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kirby, A. J.; Parker, J. K.; Raithby, P. R.
Bond length and reactivity. Structure of 2-phenylethyl <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
48(5)
(1992)
832-834 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000876.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,877 | 8.333 | 0.0016 | 5.5554 | 0.0016 | 27.182 | 0.007 | 90 | null | 90.78 | 0.03 | 90 | null | 1,258.2 | 0.5 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H12 F N O3 - | - C14 H13 F2 N O3 - | - C56 H52 F8 N4 O12 - | 4 | 1 | HA0052 | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 835 | 837 | 10.1107/S0108270191012179 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol
Acta Crystallographica Section C
48(5)
(1992)
835-837 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000877.cif $
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2,000,878 | 6.0219 | 0.0008 | 14.8748 | 0.0014 | 15.1877 | 0.0016 | 90 | null | 90 | null | 90 | null | 1,360.4 | 0.3 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C15 H12 F N O4 - | - C15 H12 F N O4 - | - C60 H48 F4 N4 O16 - | 4 | 1 | HA0052 | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 835 | 837 | 10.1107/S0108270191012179 | 1.54179 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol
Acta Crystallographica Section C
48(5)
(1992)
835-837 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000878.cif $
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7,205,755 | 25.244 | 0.004 | 18.525 | 0.003 | 8.9052 | 0.0013 | 90 | null | 102.753 | 0.003 | 90 | null | 4,061.7 | 1.1 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C21 H25 N3 O5 - | - C21 H23 N3 O5 - | - C168 H184 N24 O40 - | 8 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0932 | 0.0791 | null | null | 0.1917 | 0.202 | null | null | null | null | null | 1.134 | null | null | has coordinates,has disorder | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,000,879 | 11.941 | 0.003 | 7.871 | 0.003 | 15.688 | 0.003 | 90 | null | 99.46 | 0.02 | 90 | null | 1,454.4 | 0.7 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C15 H15 F O3 S - | - C15 H15 F O3 S - | - C60 H60 F4 O12 S4 - | 4 | 1 | HA0053 | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 838 | 841 | 10.1107/S0108270191012180 | 1.54179 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
Acta Crystallographica Section C
48(5)
(1992)
838-841 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000879.cif $
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2,000,880 | 12.079 | 0.004 | 7.87 | 0.003 | 15.337 | 0.004 | 90 | null | 98.9 | 0.03 | 90 | null | 1,440.4 | 0.8 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C14 H12 Cl F O3 S - | - C14 H12 Cl F O3 S - | - C56 H48 Cl4 F4 O12 S4 - | 4 | 1 | HA0053 | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 838 | 841 | 10.1107/S0108270191012180 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
Acta Crystallographica Section C
48(5)
(1992)
838-841 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000880.cif $
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7,205,754 | 10.631 | 0.009 | 9.315 | 0.008 | 18.052 | 0.015 | 90 | null | 103.771 | 0.013 | 90 | null | 1,736 | 3 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H24 N3 O2 - | - C20 H24 N3 O2 - | - C80 H96 N12 O8 - | 4 | 1 | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini | Crystal structures of mirtazapine molecular salts | CrystEngComm | 2,011 | 13 | 9 | 3232 | 10.1039/c0ce00746c | 0.71073 | MoKα | 0.0921 | 0.0784 | null | null | 0.2147 | 0.2418 | null | null | null | null | null | 0.869 | null | null | has coordinates | Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
Crystal structures of mirtazapine molecular salts
CrystEngComm
13(9)
(2011)
3232 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205754.cif $
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2,000,881 | 5.7308 | 0.0008 | 24.877 | 0.005 | 10.1784 | 0.0014 | 90 | null | 91.35 | 0.02 | 90 | null | 1,450.7 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C14 H12 F N O5 S - | - C14 H12 F2 N O5 S - | - C56 H48 F8 N4 O20 S4 - | 4 | 1 | HA0053 | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 838 | 841 | 10.1107/S0108270191012180 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-methyl-, 4-chloro- and 4-nitrobenzenesulfonate esters of 2-fluoro-2-phenylethanol
Acta Crystallographica Section C
48(5)
(1992)
838-841 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000881.cif $
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2,000,882 | 5.842 | 0.002 | 8.666 | 0.003 | 20.361 | 0.006 | 90 | null | 96.6 | 0.02 | 90 | null | 1,024 | 0.6 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C8 H8 F N O5 S - | - C8 H8 F N O5 S - | - C32 H32 F4 N4 O20 S4 - | 4 | 1 | HA0054 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 841 | 844 | 10.1107/S0108270191012192 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol
Acta Crystallographica Section C
48(5)
(1992)
841-844 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,883 | 5.2568 | 0.0009 | 5.7559 | 0.0009 | 36.385 | 0.007 | 90 | null | 90 | null | 90 | null | 1,100.9 | 0.3 | null | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C8 H6 F3 N O5 S - | - C8 H6 F3 N O5 S - | - C32 H24 F12 N4 O20 S4 - | 4 | 1 | HA0054 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 841 | 844 | 10.1107/S0108270191012192 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol
Acta Crystallographica Section C
48(5)
(1992)
841-844 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000883.cif $
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7,205,753 | 14.1675 | 0.0004 | 21.2583 | 0.0006 | 13.6566 | 0.0004 | 90 | null | 113.85 | null | 90 | null | 3,761.83 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H60 Mn2 Mo12 N2 O82 P8 Sr4 - | - C10 H42 Mn2 Mo12 N2 O82 P8 Sr4 - | - C20 H84 Mn4 Mo24 N4 O164 P16 Sr8 - | 2 | 0.5 | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying | New extended poly(oxomolybdophosphates) based on strontium(ii) linkers | CrystEngComm | 2,011 | 13 | 10 | 3417 | 10.1039/c0ce00727g | 0.71073 | MoKα | 0.0248 | 0.0217 | null | null | 0.0533 | 0.0545 | null | null | null | null | null | 1.064 | null | null | has coordinates,has disorder | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying
New extended poly(oxomolybdophosphates) based on strontium(ii) linkers
CrystEngComm
13(10)
(2011)
3417 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205753.cif $
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2,000,884 | 6.376 | 0.002 | 14.317 | 0.007 | 21.792 | 0.008 | 90 | null | 92.64 | 0.03 | 90 | null | 1,987.2 | 1.4 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C23 H28 O2 - | - C23 H28 O2 - | - C92 H112 O8 - | 4 | 1 | HA0055 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 844 | 847 | 10.1107/S0108270191012209 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
844-847 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000884.cif $
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2,000,885 | 12.951 | 0.002 | 10.836 | 0.002 | 14.022 | 0.002 | 90 | null | 102.66 | 0.02 | 90 | null | 1,920 | 0.6 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C23 H28 O2 - | - C23 H28 O2 - | - C92 H112 O8 - | 4 | 1 | HA0055 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 844 | 847 | 10.1107/S0108270191012209 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structures of the 4-phenylbenzoate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
844-847 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000885.cif $
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2,000,886 | 13.921 | 0.002 | 11.408 | 0.003 | 12.591 | 0.003 | 90 | null | 100.61 | 0.02 | 90 | null | 1,965.4 | 0.8 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C23 H28 O2 - | - C23 H28 O2 - | - C92 H112 O8 - | 4 | 1 | HA0056 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. Structure of the 4-phenylbenzoate ester of <i>trans</i>-3-<i>tert</i>-butylcyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 847 | 849 | 10.1107/S0108270191012210 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structure of the 4-phenylbenzoate ester of <i>trans</i>-3-<i>tert</i>-butylcyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
847-849 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000886.cif $
#-------------------------------------------------------------------... | |||||||||||
7,205,752 | 11.9135 | 0.0007 | 13.5243 | 0.0008 | 14.224 | 0.0014 | 106.946 | 0.001 | 107.202 | 0.001 | 108.76 | 0.001 | 1,874.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C20 H54 Cd2 Mo12 N4 O73 P8 Sr2 - | - C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 - | - C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 - | 1 | 0.5 | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying | New extended poly(oxomolybdophosphates) based on strontium(ii) linkers | CrystEngComm | 2,011 | 13 | 10 | 3417 | 10.1039/c0ce00727g | 0.71073 | MoKα | 0.0257 | 0.0242 | null | null | 0.0651 | 0.066 | null | null | null | null | null | 1.042 | null | null | has coordinates | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying
New extended poly(oxomolybdophosphates) based on strontium(ii) linkers
CrystEngComm
13(10)
(2011)
3417 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205752.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,000,887 | 9.424 | 0.005 | 17.177 | 0.009 | 8.321 | 0.003 | 90 | null | 90 | null | 90 | null | 1,347 | 1.1 | null | null | null | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | null | - C11 H22 O3 S - | - C11 H22 O3 S - | - C44 H88 O12 S4 - | 4 | 1 | HA0057 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 849 | 851 | 10.1107/S0108270191012222 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
849-851 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000887.cif $
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2,000,888 | 21.081 | 0.003 | 6.0693 | 0.0006 | 10.3058 | 0.0016 | 90 | null | 94.944 | 0.012 | 90 | null | 1,313.7 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C11 H22 O3 S - | - C11 H22 O3 S - | - C44 H88 O12 S4 - | 4 | 1 | HA0057 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 849 | 851 | 10.1107/S0108270191012222 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
849-851 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000888.cif $
#-------------------------------------------------------------------... | |||||||||||
2,000,889 | 6.971 | 0.001 | 9.3896 | 0.0011 | 23.826 | 0.004 | 90 | null | 93.518 | null | 90 | null | 1,556.6 | 0.4 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C19 H19 F O2 - | - C19 H19 F O2 - | - C76 H76 F4 O8 - | 4 | 1 | HA0058 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 852 | 855 | 10.1107/S0108270191012234 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
852-855 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000889.cif $
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2,000,890 | 16.644 | 0.005 | 9.277 | 0.003 | 12.048 | 0.004 | 90 | null | 109.8 | 0.03 | 90 | null | 1,750.3 | 1 | null | null | null | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | null | - C18 H20 F O4 P - | - C18 H20 F O4 P - | - C72 H80 F4 O16 P4 - | 4 | 1 | HA0058 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 852 | 855 | 10.1107/S0108270191012234 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
852-855 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000890.cif $
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7,205,751 | 11.4944 | 0.0011 | 14.2418 | 0.0014 | 15.262 | 0.0015 | 69.142 | 0.001 | 81.976 | 0.001 | 88.108 | 0.001 | 2,311.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C26 H76 Mn2 Mo12 N4 O78 P8 Sr2 - | - C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 - | - C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 - | 1 | 0.5 | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying | New extended poly(oxomolybdophosphates) based on strontium(ii) linkers | CrystEngComm | 2,011 | 13 | 10 | 3417 | 10.1039/c0ce00727g | 0.71073 | MoKα | 0.0558 | 0.044 | null | null | 0.1084 | 0.113 | null | null | null | null | null | 1.04 | null | null | has coordinates,has disorder | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying
New extended poly(oxomolybdophosphates) based on strontium(ii) linkers
CrystEngComm
13(10)
(2011)
3417 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205751.cif $
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2,000,891 | 11.7709 | 0.0015 | 15.601 | 0.002 | 8.2119 | 0.0012 | 90 | null | 94.728 | 0.015 | 90 | null | 1,502.9 | 0.4 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C16 H17 F O3 S - | - C16 H17 F O3 S - | - C64 H68 F4 O12 S4 - | 4 | 1 | HA0058 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 852 | 855 | 10.1107/S0108270191012234 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate, the diphenyl phosphate and the 2-naphthalenesulfonate esters of <i>trans</i>-2-fluorocyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
852-855 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000891.cif $
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2,000,892 | 7.559 | 0.002 | 9.869 | 0.002 | 14.347 | 0.004 | 103.17 | 0.02 | 92.8 | 0.02 | 104.33 | 0.02 | 1,003.4 | 0.5 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C23 H27 F O2 - | - C23 H28 F2 O2 - | - C46 H56 F4 O4 - | 2 | 1 | HA0059 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate and methanesulfonate esters of <i>trans</i>,<i>cis</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 855 | 858 | 10.1107/S0108270191012246 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate and methanesulfonate esters of <i>trans</i>,<i>cis</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
855-858 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000892.cif $
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7,205,750 | 24.4496 | 0.0007 | 14.3595 | 0.0004 | 34.5689 | 0.0009 | 90 | null | 92.838 | 0.0004 | 90 | null | 12,121.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 9 | C 1 2/c 1 | -C 2yc | 15 | - C60 H94 Fe4 Mo12 N12 Na O83 P9 Sr2 - | - C60 H86 Fe4 Mo12 N12 Na O83 P9 Sr2 - | - C240 H344 Fe16 Mo48 N48 Na4 O332 P36 Sr8 - | 4 | 0.5 | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying | New extended poly(oxomolybdophosphates) based on strontium(ii) linkers | CrystEngComm | 2,011 | 13 | 10 | 3417 | 10.1039/c0ce00727g | 0.71073 | MoKα | 0.0416 | 0.0373 | null | null | 0.1017 | 0.104 | null | null | null | null | null | 1.092 | null | null | has coordinates | Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying
New extended poly(oxomolybdophosphates) based on strontium(ii) linkers
CrystEngComm
13(10)
(2011)
3417 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205750.cif $
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2,000,893 | 17.09 | 0.004 | 7.678 | 0.002 | 10.806 | 0.003 | 90 | null | 106.54 | 0.02 | 90 | null | 1,359.3 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C11 H21 F O3 S - | - C11 H22 F2 O3 S - | - C44 H88 F8 O12 S4 - | 4 | 1 | HA0059 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate and methanesulfonate esters of <i>trans</i>,<i>cis</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 855 | 858 | 10.1107/S0108270191012246 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 4-phenylbenzoate and methanesulfonate esters of <i>trans</i>,<i>cis</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
855-858 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/08/2000893.cif $
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2,000,894 | 9.368 | 0.004 | 9.462 | 0.004 | 15.546 | 0.007 | 85.17 | 0.04 | 81.8 | 0.02 | 61.62 | 0.03 | 1,199.8 | 1 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C29 H31 F O2 - | - C29 H32 F2 O2 - | - C58 H64 F4 O4 - | 2 | 1 | HA0060 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 859 | 864 | 10.1107/S0108270191012258 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(... | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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7,205,749 | 10.1153 | 0.0008 | 10.1153 | 0.0008 | 8.8592 | 0.0014 | 90 | null | 90 | null | 120 | null | 785.02 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | R 3 m :H | R 3 -2" | 160 | - B6 Br K3 O10 - | - B6 Br K3 O10 - | - B18 Br3 K9 O30 - | 3 | 0.166667 | Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun | Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br | CrystEngComm | 2,011 | 13 | 8 | 2899 | 10.1039/c0ce00725k | 0.71073 | MoKα | 0.0275 | 0.0273 | null | null | 0.0637 | 0.0639 | null | null | null | null | null | 1.157 | null | null | has coordinates | Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun
Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br
CrystEngComm
13(8)
(2011)
2899 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,000,895 | 21.194 | 0.004 | 11.155 | 0.002 | 8.3306 | 0.0015 | 90 | null | 95.512 | null | 90 | null | 1,960.4 | 0.6 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C23 H27 F O2 - | - C23 H28 F2 O2 - | - C92 H112 F8 O8 - | 4 | 1 | HA0060 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 859 | 864 | 10.1107/S0108270191012258 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(... | 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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2,000,896 | 5.8904 | 0.0015 | 10.96 | 0.003 | 33.09 | 0.008 | 90 | null | 90 | null | 90 | null | 2,136.3 | 1 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C22 H28 F O4 P - | - C22 H29 F2 O4 P - | - C88 H116 F8 O16 P4 - | 4 | 1 | HA0060 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 859 | 864 | 10.1107/S0108270191012258 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(... | 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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2,000,897 | 21.127 | 0.003 | 6.2048 | 0.0008 | 10.4113 | 0.0015 | 90 | null | 101.427 | 0.011 | 90 | null | 1,337.8 | 0.3 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C11 H21 F O3 S - | - C11 H22 F2 O3 S - | - C44 H88 F8 O12 S4 - | 4 | 1 | HA0060 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 859 | 864 | 10.1107/S0108270191012258 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(... | 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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7,205,748 | 18.8231 | 0.0007 | 18.8231 | 0.0007 | 20.332 | 0.0015 | 90 | null | 90 | null | 90 | null | 7,203.8 | 0.7 | 196 | 2 | 196 | 2 | null | null | null | null | 7 | P 4/n :2 | -P 4a | 85 | - C40 H155 N30 Ni4 O95 P V36 - | - C40 H154 N30 Ni4 O95 P V36 - | - C80 H308 N60 Ni8 O190 P2 V72 - | 2 | 0.25 | Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You | {[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation | CrystEngComm | 2,011 | 13 | 7 | 2191 | 10.1039/c0ce00722f | 0.71073 | MoKα | 0.1037 | 0.0698 | null | null | 0.1932 | 0.2045 | null | null | null | null | null | 1.104 | null | null | has coordinates,has disorder | Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You
{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation
CrystEngComm
13(7)
(2011)
2191 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,000,898 | 10.249 | 0.002 | 8.853 | 0.002 | 29.687 | 0.004 | 90 | null | 90 | null | 90 | null | 2,693.6 | 0.9 | null | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | null | - C11 H21 F O3 S - | - C11 H21 F O3 S - | - C88 H168 F8 O24 S8 - | 8 | 1 | HA0061 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-fluorine. Structure of the methanesulfonate ester of <i>trans</i>,<i>trans</i>-5-<i>tert</i>-butyl-2-fluorocyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 864 | 866 | 10.1107/S010827019101226X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-fluorine. Structure of the methanesulfonate ester of <i>trans</i>,<i>trans</i>-5-<i>tert</i>-butyl-2-fluorocyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
864-866 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,899 | 6.256 | 0.001 | 16.608 | 0.003 | 17.012 | 0.004 | 90 | null | 94.49 | 0.02 | 90 | null | 1,762.1 | 0.6 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C18 H22 O2 Si - | - C18 H22 O2 Si - | - C72 H88 O8 Si4 - | 4 | 1 | HA0062 | Doyle, M. J.; Kirby, A. J.; Percy, J. M.; Raithby, P. R. | Bond length and reactivity. The effect of β-silicon. Structure of the 4-phenylbenzoate ester of 2-trimethylsilylethanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 866 | 868 | 10.1107/S0108270191012271 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Doyle, M. J.; Kirby, A. J.; Percy, J. M.; Raithby, P. R.
Bond length and reactivity. The effect of β-silicon. Structure of the 4-phenylbenzoate ester of 2-trimethylsilylethanol
Acta Crystallographica Section C
48(5)
(1992)
866-868 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,747 | 18.9721 | 0.0007 | 18.9721 | 0.0007 | 20.2105 | 0.0013 | 90 | null | 90 | null | 90 | null | 7,274.6 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 7 | P 4/n :2 | -P 4a | 85 | - C40 H167 N30 Ni4 O101 P V36 - | - C40 H137 N30 Ni4 O101 P V36 - | - C80 H274 N60 Ni8 O202 P2 V72 - | 2 | 0.25 | Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You | {[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation | CrystEngComm | 2,011 | 13 | 7 | 2191 | 10.1039/c0ce00722f | 0.71073 | MoKα | 0.0962 | 0.0694 | null | null | 0.2159 | 0.2342 | null | null | null | null | null | 1.053 | null | null | has coordinates | Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You
{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation
CrystEngComm
13(7)
(2011)
2191 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205747.cif $
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2,000,900 | 7.9566 | 0.0014 | 13.11 | 0.003 | 20.844 | 0.005 | 96.32 | 0.02 | 90.73 | 0.02 | 90.24 | 0.02 | 2,160.8 | 0.8 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H24 N2 O6 Si - | - C21 H24 N2 O6 Si - | - C84 H96 N8 O24 Si4 - | 4 | 2 | HA0063 | Jones, P. G.; Kirby, A. J.; Parker, J. K. | Bond length and reactivity. The effect of β-silicon. Structure of the 3,5-dinitrobenzoate ester of <i>trans</i>-2-(dimethylphenylsilyl)cyclohexanol | Acta Crystallographica Section C | 1,992 | 48 | 5 | 868 | 871 | 10.1107/S0108270191012283 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. The effect of β-silicon. Structure of the 3,5-dinitrobenzoate ester of <i>trans</i>-2-(dimethylphenylsilyl)cyclohexanol
Acta Crystallographica Section C
48(5)
(1992)
868-871 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,000,901 | 6.57 | 0.002 | 19.031 | 0.004 | 7.949 | 0.002 | 90 | null | 90 | null | 90 | null | 993.9 | 0.4 | null | null | null | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | null | - C10 H18 O2 - | - C10 H18 O2 - | - C40 H72 O8 - | 4 | 1 | GE0281 | Giuseppetti, G.; Tadini, C.; Bettinetti, G. P. | Structures of sobrerol enantiomers and racemates. II. (±)-<i>trans</i>-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol (racemic <i>trans</i>-sobrerol) | Acta Crystallographica Section C | 1,992 | 48 | 5 | 876 | 878 | 10.1107/S0108270191011150 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Giuseppetti, G.; Tadini, C.; Bettinetti, G. P.
Structures of sobrerol enantiomers and racemates. II. (±)-<i>trans</i>-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol (racemic <i>trans</i>-sobrerol)
Acta Crystallographica Section C
48(5)
(1992)
876-878 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/09/2000901.cif $
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2,000,902 | 8.484 | 0.002 | 6.859 | 0.002 | 14.95 | 0.005 | 90 | null | 90 | null | 90 | null | 870 | 0.4 | null | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - C6 H7 Na O8 - | - C6 H10 Na O9 - | - C24 H40 Na4 O36 - | 4 | 0.5 | AB0248 | Kalsbeek, N. | Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K | Acta Crystallographica Section C | 1,992 | 48 | 5 | 878 | 883 | 10.1107/S0108270191012489 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kalsbeek, N.
Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K
Acta Crystallographica Section C
48(5)
(1992)
878-883 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
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2,000,903 | 6.671 | 0.002 | 7.39 | 0.003 | 9.359 | 0.004 | 90 | null | 100.49 | 0.03 | 90 | null | 453.7 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C3 H3 Na O4 - | - C3 H3 Na O4 - | - C12 H12 Na4 O16 - | 4 | 1 | AB0248 | Kalsbeek, N. | Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K | Acta Crystallographica Section C | 1,992 | 48 | 5 | 878 | 883 | 10.1107/S0108270191012489 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kalsbeek, N.
Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K
Acta Crystallographica Section C
48(5)
(1992)
878-883 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,904 | 11.153 | 0.004 | 14.833 | 0.003 | 19.332 | 0.005 | 90 | null | 90 | null | 90 | null | 3,198.1 | 1.6 | null | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C28 H36 I2 N2 O4 S2 - | - C28 H36 I2 N2 O4 S2 - | - C112 H144 I8 N8 O16 S8 - | 4 | 1 | AL0477 | Anderson, M.; Gallagher, T.; Mahon, M. F.; Molloy, K. C.; Shaw, R. | Structure of (<i>Z</i>,<i>Z</i>)-3,11-diiodo-<i>N</i>,<i>N</i>-ditosyl-1,9-diazacyclohexadeca-3,11-diene | Acta Crystallographica Section C | 1,992 | 48 | 5 | 883 | 885 | 10.1107/S0108270191011782 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Anderson, M.; Gallagher, T.; Mahon, M. F.; Molloy, K. C.; Shaw, R.
Structure of (<i>Z</i>,<i>Z</i>)-3,11-diiodo-<i>N</i>,<i>N</i>-ditosyl-1,9-diazacyclohexadeca-3,11-diene
Acta Crystallographica Section C
48(5)
(1992)
883-885 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/09/2000904.cif $
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7,205,746 | 10.998 | 0.002 | 11.8 | 0.002 | 12.793 | 0.003 | 70.09 | 0.03 | 66.74 | 0.03 | 73.43 | 0.03 | 1,412.1 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C54 H58 Cd Cl2 N12 O10 - | - C54 H58 Cd Cl2 N12 O10 - | - C54 H58 Cd Cl2 N12 O10 - | 1 | 0.5 | Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan | Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks | CrystEngComm | 2,011 | 13 | 12 | 4218 | 10.1039/c0ce00717j | 0.71073 | MoKα | 0.0944 | 0.0685 | null | null | 0.1768 | 0.2128 | null | null | null | null | null | 1.071 | null | null | has coordinates,has disorder | Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan
Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks
CrystEngComm
13(12)
(2011... | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,000,905 | 26.085 | 0.007 | 7.211 | 0.002 | 13.653 | 0.006 | 90 | null | 90 | null | 90 | null | 2,568.1 | 1.5 | null | null | null | null | null | null | null | null | 3 | P b c n | null | - C15 H18 O3 - | - C15 H18 O3 - | - C120 H144 O24 - | 8 | 1 | PA0239 | Rodier, N.; Zhang, Y. M.; Mayrargue, J. | Spiro[(2,3-époxycyclohexane)-1:4'-(2',3'-dihydro-8'-méthoxybenzo-4<i>H</i>-pyranne)] | Acta Crystallographica Section C | 1,992 | 48 | 5 | 885 | 887 | 10.1107/S0108270191011605 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rodier, N.; Zhang, Y. M.; Mayrargue, J.
Spiro[(2,3-époxycyclohexane)-1:4'-(2',3'-dihydro-8'-méthoxybenzo-4<i>H</i>-pyranne)]
Acta Crystallographica Section C
48(5)
(1992)
885-887 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,906 | 14.696 | 0.003 | 14.696 | 0.003 | 15.853 | 0.003 | 90 | null | 90 | null | 90 | null | 3,423.8 | 1.2 | null | null | null | null | null | null | null | null | 4 | I 41/a | I 4bw -1bw | null | - C20 H16 Br2 N2 - | - C20 H16 Br2 N2 - | - C160 H128 Br16 N16 - | 8 | null | AS0544 | Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K. | Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides | Acta Crystallographica Section C | 1,992 | 48 | 5 | 894 | 897 | 10.1107/S0108270191011885 | 0.71068 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K.
Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides
Acta Crystallographica Section C
48(5)
(1992)
894-897 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176759 $
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