file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,007,575 | 18.951 | 0.001 | 9.104 | 0.001 | 20.842 | 0.002 | 90 | null | 100.01 | 0.01 | 90 | null | 3,541.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | (1,4-bis(diphenylphosphino-k,P,P')butane)(N,N'-diethyldithiocarbamato)- nickel(II) perchlorate. | - C33 H38 Cl N Ni O4 P2 S2 - | - C33 H38 Cl N Ni O4 P2 S2 - | - C132 H152 Cl4 N4 Ni4 O16 P8 S8 - | 4 | 1 | AB1521 | Ramalingam,Kuppukkannu; Shawkataly, Omar bin; Fun, Hoong-Kun; Ibrahim,Abdul Razak | [1,4-Bis(diphenylphosphino)butane-<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1223 | 1225 | 10.1107/S0108270198001917 | 0.71073 | MoKα | 0.0713 | 0.0441 | null | 0.1314 | 0.1193 | null | null | null | 0.945 | 1.076 | 1.076 | null | null | null | has coordinates,has disorder | Ramalingam,Kuppukkannu; Shawkataly, Omar bin; Fun, Hoong-Kun; Ibrahim,Abdul Razak
[1,4-Bis(diphenylphosphino)butane-<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate
Acta Crystallographica Section C
54(9)
(1998)
1223-1225 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,576 | 6.933 | 0.004 | 7.826 | 0.004 | 11.969 | 0.007 | 90 | null | 104.05 | 0.05 | 90 | null | 630 | 0.6 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Potassium hydroxypropanedioate | - C3 H2 K2 O5 - | - C3 H2 K2 O5 - | - C12 H8 K8 O20 - | 4 | 1 | AV1017 | Taka, Jun-ichiro; Kashino, Setsuo | Potassium Tartronate and Ammonium Tartronate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1257 | 1259 | 10.1107/S0108270198004065 | 0.71073 | MoKα | null | 0.031 | null | null | null | 0.034 | null | null | null | null | null | 1.96 | null | null | has coordinates | Taka, Jun-ichiro; Kashino, Setsuo
Potassium Tartronate and Ammonium Tartronate
Acta Crystallographica Section C
54(9)
(1998)
1257-1259 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,007,577 | 8.012 | 0.003 | 7.638 | 0.003 | 10.842 | 0.005 | 90 | null | 90 | null | 90 | null | 663.5 | 0.5 | 295 | null | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | Ammonium hydroxypropanedioate | - C3 H10 N2 O5 - | - C3 H10 N2 O5 - | - C12 H40 N8 O20 - | 4 | 1 | AV1017 | Taka, Jun-ichiro; Kashino, Setsuo | Potassium Tartronate and Ammonium Tartronate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1257 | 1259 | 10.1107/S0108270198004065 | 0.71073 | MoKα | null | 0.039 | null | null | null | 0.038 | null | null | null | null | null | 1.26 | null | null | has coordinates | Taka, Jun-ichiro; Kashino, Setsuo
Potassium Tartronate and Ammonium Tartronate
Acta Crystallographica Section C
54(9)
(1998)
1257-1259 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,229,981 | 12.514 | 0.003 | 7.6539 | 0.0015 | 19.467 | 0.004 | 90 | null | 93.276 | 0.003 | 90 | null | 1,861.5 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4- hydroxybenzohydrazidato}pyridinecopper(II) | - C20 H16 Br Cu N3 O3 - | - C20 H16 Br Cu N3 O3 - | - C80 H64 Br4 Cu4 N12 O12 - | 4 | 1 | GK2354 | Zhang, Jian-Min; Wang, Liang; Liu, Juan; Li, Yong-Chao; Li, Hong-Ji | {<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzohydrazidato}pyridinecopper(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m537 | 10.1107/S1600536811011974 | 0.71073 | MoKα | 0.0505 | 0.0395 | null | null | 0.0976 | 0.1034 | null | null | null | null | null | 1.021 | null | null | has coordinates,has Fobs | Zhang, Jian-Min; Wang, Liang; Liu, Juan; Li, Yong-Chao; Li, Hong-Ji
{<i>N</i>'-[(<i>E</i>)-1-(5-Bromo-2-oxidophenyl)ethylidene]-4-hydroxybenzohydrazidato}pyridinecopper(II)
Acta Crystallographica Section E
67(5)
(2011)
m537 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
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2,007,578 | 12.681 | 0.003 | 12.145 | 0.002 | 22.107 | 0.004 | 90 | null | 90.35 | 0.03 | 90 | null | 3,404.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | null | - C33 H34 N6 Ni2 O11 - | - C16.5 H16 N3 Ni O5.5 - | - C66 H64 N12 Ni4 O22 - | 4 | 1 | BM1200 | Koman, Marian; Baloghová, Zuzana; Valigura, Dušan | Structural Investigation of Nickel(II) Complexes. XIII. μ-[2,3,5,6-Tetra-(2-pyridyl)pyrazine]-bis-[bis(acetato)aquanickel(II)]‒Formaldehyde (1/1) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1277 | 1279 | 10.1107/S0108270198003631 | 0.71073 | MoKα | 0.1092 | 0.0494 | null | 0.1694 | 0.1184 | null | null | null | 0.955 | 0.992 | 0.992 | null | null | null | has coordinates | Koman, Marian; Baloghová, Zuzana; Valigura, Dušan
Structural Investigation of Nickel(II) Complexes. XIII. μ-[2,3,5,6-Tetra-(2-pyridyl)pyrazine]-bis-[bis(acetato)aquanickel(II)]‒Formaldehyde (1/1)
Acta Crystallographica Section C
54(9)
(1998)
1277-1279 | 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/2/00/75/2007578.cif $
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2,007,579 | 16.031 | 0.002 | 17.942 | 0.003 | 11.25 | 0.003 | 90 | null | 90 | null | 90 | null | 3,235.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 2 | P 2 2ab | 18 | trans-2,3,5,7,15-pentaacetoxy jatroph 6(17),11-DIENE-9,14-DIONE | E-(-)-(2R,3R,4R,5S,7R,13R,15R)- 2,3,5,7,15-Pentaacetoxy-2,10,10,13-tetramethyl- 6-methylene-bicyclo[10.3.0] pentadec-11-en-9,14-dione | - C30 H40 O12 - | - C30 H40 O12 - | - C120 H160 O48 - | 4 | 1 | BM1208 | Kar, Tanusree; Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Hohmann, Judit | <i>trans</i>-2,3,5,7,15-Pentaacetoxyjatropha-6(17),11-diene-9,14-dione, a Diterpene Oligoester | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1287 | 1289 | 10.1107/S010827019800393X | 1.5418 | CuKα | 0.1067 | 0.0765 | null | 0.2801 | 0.2228 | null | null | null | 1.037 | 1.258 | 1.258 | null | null | null | has coordinates,has disorder | Kar, Tanusree; Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Hohmann, Judit
<i>trans</i>-2,3,5,7,15-Pentaacetoxyjatropha-6(17),11-diene-9,14-dione, a Diterpene Oligoester
Acta Crystallographica Section C
54(9)
(1998)
1287-1289 | 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/2/00/75/2007579.cif $
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2,007,580 | 13.61 | 0.004 | 8.286 | 0.001 | 19.848 | 0.004 | 90 | null | 93.74 | 0.02 | 90 | null | 2,233.5 | 0.8 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Tetraethylammonium (1-Pyrrolidinecarbodithioate-S,S')(tetrathiotungstenio-S,S')-nickelate(1-) | - C13 H28 N2 Ni S6 W - | - C13 H28 N2 Ni S6 W - | - C52 H112 N8 Ni4 S24 W4 - | 4 | 1 | BM1219 | De-Liang Long; Qing-Hua Wang; Jin-Shun Huang | Tetraethylammonium (1-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')(tetrathiotungstenio-<i>S</i>,<i>S</i>')nickelate(1 ‒) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1251 | 1253 | 10.1107/S0108270198004296 | 0.71073 | MoKα | null | 0.037 | null | null | 0.047 | null | null | null | null | 0.69 | 0.69 | null | null | null | has coordinates | De-Liang Long; Qing-Hua Wang; Jin-Shun Huang
Tetraethylammonium (1-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')(tetrathiotungstenio-<i>S</i>,<i>S</i>')nickelate(1 ‒)
Acta Crystallographica Section C
54(9)
(1998)
1251-1253 | 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/2/00/75/2007580.cif $
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2,007,581 | 9.2751 | 0.0017 | 10.39 | 0.0016 | 14.08 | 0.002 | 98.503 | 0.012 | 106.398 | 0.014 | 99.953 | 0.014 | 1,254 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(di-2-pyridylamine)(propionato)copper(II) Chloride Monohydrate | - C23 H25 Cl Cu N6 O3 - | - C23 H25 Cl Cu N6 O3 - | - C46 H50 Cl2 Cu2 N12 O6 - | 2 | 1 | BM1221 | Sujittra Youngme; Kitisak Poopasit; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Suchada Chantrapromma | Bis(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>)copper(II) Chloride Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1221 | 1223 | 10.1107/S0108270198003618 | 0.71073 | MoKα | 0.0702 | 0.05 | null | 0.1477 | 0.1388 | null | null | null | 0.994 | 1.121 | 1.121 | null | null | null | has coordinates,has disorder | Sujittra Youngme; Kitisak Poopasit; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Suchada Chantrapromma
Bis(di-2-pyridyl-<i>N</i>-amine)(propionato-<i>O</i>)copper(II) Chloride Monohydrate
Acta Crystallographica Section C
54(9)
(1998)
1221-1223 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,582 | 11.885 | 0.003 | 8.004 | 0.002 | 33.795 | 0.007 | 90 | null | 90.59 | 0.02 | 90 | null | 3,214.7 | 1.3 | 143 | 2 | 143 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-(4-Chlorophenyl)-2-amino-5,6-dihydro-benzo[f]quinoline-3-carbonitrile | - C20 H14 Cl N3 - | - C20 H14 Cl N3 - | - C160 H112 Cl8 N24 - | 8 | 2 | BM1235 | Elgemeie, Galal E.H.; Fathy, Nahed M.; Jones, Peter G. | 2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile, a Strongly Fluorescent Phenanthridine Analogue | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1314 | 1316 | 10.1107/S0108270198003813 | 0.71073 | MoKα | 0.0676 | 0.044 | null | 0.1071 | 0.0928 | null | null | null | 1.044 | 1.057 | 1.057 | null | null | null | has coordinates | Elgemeie, Galal E.H.; Fathy, Nahed M.; Jones, Peter G.
2-Amino-4-(4-chlorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile, a Strongly Fluorescent Phenanthridine Analogue
Acta Crystallographica Section C
54(9)
(1998)
1314-1316 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,583 | 5.5431 | 0.0005 | 8.909 | 0.0006 | 45.893 | 0.004 | 90 | null | 90 | null | 90 | null | 2,266.4 | 0.3 | 220 | null | 220 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 2-hydroxyacetophenone anil | - C14 H13 N O - | - C14 H13 N O - | - C112 H104 N8 O8 - | 8 | 1 | BM1237 | Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon | Methyl-and Phenyl-Substituted Salicylideneanilines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1360 | 1362 | 10.1107/S0108270198004302 | 1.5418 | CuKα | null | 0.0603 | null | null | 0.0735 | null | null | null | null | 1.0892 | 1.0892 | null | null | null | has coordinates,has Fobs | Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon
Methyl-and Phenyl-Substituted Salicylideneanilines
Acta Crystallographica Section C
54(9)
(1998)
1360-1362 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,018,067 | 9.452 | 0.0019 | 12.989 | 0.003 | 18.067 | 0.004 | 108.05 | 0.03 | 96.38 | 0.03 | 95.21 | 0.03 | 2,077.4 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | <i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane- κ<i>P</i>)rhodium(I) dichloromethane monosolvate | - C46 H40 Cl3 Fe2 O P2 Rh - | - C46 H40 Cl3 Fe2 O P2 Rh - | - C92 H80 Cl6 Fe4 O2 P4 Rh2 - | 2 | 1 | GG3257 | Muller, Alfred; Otto, Stefanus | <i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate | Acta Crystallographica Section C | 2,011 | 67 | 5 | m165 | m168 | 10.1107/S0108270111014107 | 0.71073 | MoKα | 0.0949 | 0.0496 | null | null | 0.1177 | 0.1311 | null | null | null | null | null | 0.933 | null | null | has coordinates,has disorder,has Fobs | Muller, Alfred; Otto, Stefanus
<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate
Acta Crystallographica Section C
67(5)
(2011)
m165-m168 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
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2,007,584 | 18.339 | 0.003 | 9.642 | 0.001 | 16.323 | 0.002 | 90 | null | 90.26 | 0.02 | 90 | null | 2,886.3 | 0.7 | 220 | null | 220 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2-hydroxybenzophenone anil | - C19 H15 N O - | - C19 H15 N O - | - C152 H120 N8 O8 - | 8 | 1 | BM1237 | Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon | Methyl-and Phenyl-Substituted Salicylideneanilines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1360 | 1362 | 10.1107/S0108270198004302 | 1.5418 | CuKα | null | 0.0437 | null | null | 0.0476 | null | null | null | null | 1.126 | 1.126 | null | null | null | has coordinates,has Fobs | Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon
Methyl-and Phenyl-Substituted Salicylideneanilines
Acta Crystallographica Section C
54(9)
(1998)
1360-1362 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,585 | 15.883 | 0.002 | 7.233 | 0.001 | 7.718 | 0.001 | 90 | null | 90.29 | 0.01 | 90 | null | 886.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | Titano nonaoxodiarséniate de tétrasodium | - As2 Na4 O9 Ti - | - As2 Na4 O9 Ti - | - As8 Na16 O36 Ti4 - | 4 | 0.5 | BR1184 | Yaakoubi, Arbia; Jouini, Tahar | Na~4~TiAs~2~O~9~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1200 | 1202 | 10.1107/S010827019701994X | 0.71069 | MoKα | 0.077 | 0.036 | null | 0.097 | 0.076 | null | null | null | 1.154 | 1.135 | 1.135 | null | null | null | has coordinates | Yaakoubi, Arbia; Jouini, Tahar
Na~4~TiAs~2~O~9~
Acta Crystallographica Section C
54(9)
(1998)
1200-1202 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,586 | 3.6848 | 0.0002 | 3.6848 | null | 10.552 | 0.0005 | 90 | null | 90 | null | 90 | null | 143.272 | 0.01 | 292 | null | 292 | null | null | null | null | null | 4 | I 4/m m m | -I 4 2 | 139 | - C B2 Er Rh2 - | - C B2 Er Rh1.838 - | - C2 B4 Er2 Rh3.676 - | 2 | 0.0625 | BR1189 | Ye, Jinhua; Shishido, Toetsu; Kimura, Takashi; Matsumoto, Takehiko; Fukuda, Tsuguo | End Member of the Rhodium-Based Quaternary Borocarbides, ErRh~2~B~2~C | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1211 | 1214 | 10.1107/S0108270198003035 | 0.7107 | MoKα | null | 0.019 | null | null | 0.02 | null | null | null | null | 1.7 | 1.7 | null | null | null | has coordinates,has Fobs | Ye, Jinhua; Shishido, Toetsu; Kimura, Takashi; Matsumoto, Takehiko; Fukuda, Tsuguo
End Member of the Rhodium-Based Quaternary Borocarbides, ErRh~2~B~2~C
Acta Crystallographica Section C
54(9)
(1998)
1211-1214 | 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/2/00/75/2007586.cif $
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2,007,587 | 6.712 | 0.002 | 6.892 | 0.002 | 7.855 | 0.002 | 94.27 | 0.02 | 114.47 | 0.02 | 114.79 | 0.02 | 286.39 | 0.17 | 295.2 | null | 295.2 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | divanadium managanese tellurite | - Mn O7 Te V2 - | - Mn O7 Te V2 - | - Mn2 O14 Te2 V4 - | 2 | 1 | BR1206 | Feger, Christopher R.; Kolis, Joseph W. | V~2~MnTeO~7~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1217 | 1219 | 10.1107/S010827019800448X | 0.7107 | MoKα | 0.036 | 0.028 | null | 0.036 | 0.035 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Feger, Christopher R.; Kolis, Joseph W.
V~2~MnTeO~7~
Acta Crystallographica Section C
54(9)
(1998)
1217-1219 | 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/2/00/75/2007587.cif $
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2,007,588 | 16.923 | 0.002 | 14.783 | 0.002 | 17.6634 | 0.0013 | 90 | null | 90 | null | 90 | null | 4,418.9 | 0.9 | 163 | 2 | 163 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | tetra-n-butylammonium trinitromethane | tetra-n-butylammonium trinitromethanide | - C17 H36 N4 O6 - | - C17 H36 N4 O6 - | - C136 H288 N32 O48 - | 8 | 1 | BR1207 | Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A. | Tetrabutylammonium and Caesium Salts of Trinitromethane | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1229 | 1233 | 10.1107/S0108270198004491 | 0.71073 | MoKα | 0.043 | 0.043 | null | 0.127 | null | 0.127 | null | null | 1.03 | 1.13 | 1.13 | null | null | null | has coordinates,has disorder | Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.
Tetrabutylammonium and Caesium Salts of Trinitromethane
Acta Crystallographica Section C
54(9)
(1998)
1229-1233 | 200,221 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-06 14:19:23 +0300 (Wed, 06 Sep 2017) $
#$Revision: 200221 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007588.cif $
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2,007,589 | 8.1023 | 0.0005 | 8.3297 | 0.0004 | 9.4897 | 0.0009 | 90 | null | 99.208 | 0.006 | 90 | null | 632.2 | 0.08 | 163 | 2 | 163 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | caesium trinitromethane | caesium trinitromethanide | - C Cs N3 O6 - | - C Cs N3 O6 - | - C4 Cs4 N12 O24 - | 4 | 1 | BR1207 | Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A. | Tetrabutylammonium and Caesium Salts of Trinitromethane | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1229 | 1233 | 10.1107/S0108270198004491 | 0.71073 | MoKα | 0.018 | 0.018 | null | 0.047 | null | 0.047 | null | null | 1.09 | 1.1 | 1.1 | null | null | null | has coordinates | Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.
Tetrabutylammonium and Caesium Salts of Trinitromethane
Acta Crystallographica Section C
54(9)
(1998)
1229-1233 | 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/2/00/75/2007589.cif $
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2,007,590 | 16.6 | 0.003 | 13.12 | 0.003 | 7.96 | 0.002 | 90 | null | 109.23 | 0.03 | 90 | null | 1,636.9 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | [6-(4,5-dimethyl-1,3-dithiole-2-ylidene)-5,7-dioxo-6,7-dihydro-5H-dibenzo- [a.c]cycloheptene] | - C20 H14 O2 S2 - | - C20 H14 O2 S2 - | - C80 H56 O8 S8 - | 4 | 0.5 | CF1132 | Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim | New Examples of Donor–Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1364 | 1367 | 10.1107/S0108270198000602 | 0.71073 | MoKα | 0.088 | 0.043 | null | 0.109 | 0.099 | null | null | null | 0.749 | 0.969 | 0.969 | null | null | null | has coordinates | Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim
New Examples of Donor–Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety
Acta Crystallographica Section C
54(9)
(1998)
1364-1367 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,591 | 10.519 | 0.002 | 25.456 | 0.005 | 20.319 | 0.004 | 90 | null | 92.03 | 0.03 | 90 | null | 5,437.4 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | [6-(4,5-tetramethylene-1,3-dithiole-2-ylidene)-5,7-dioxo-6,7- dihydro-5H-dibenzo[a.c]cycloheptene] | - C22 H16 O2 S2 - | - C22 H16 O2 S2 - | - C264 H192 O24 S24 - | 12 | 1.5 | CF1132 | Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim | New Examples of Donor‒Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1364 | 1367 | 10.1107/S0108270198000602 | 0.71073 | MoKα | 0.101 | 0.059 | null | 0.171 | 0.132 | null | null | null | 1.088 | 1.121 | 1.121 | null | null | null | has coordinates | Khodorkovsky, Vladimir; Ellern, Arkady; Moldavsky, Vadim
New Examples of Donor‒Acceptor Conjugated Systems Involving the 1,3-Dithiole Moiety
Acta Crystallographica Section C
54(9)
(1998)
1364-1367 | 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/2/00/75/2007591.cif $
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2,018,066 | 9.436 | 0.005 | 12.978 | 0.005 | 18.091 | 0.005 | 107.903 | 0.005 | 96.269 | 0.005 | 95.225 | 0.005 | 2,077.3 | 1.5 | 160 | 2 | 160 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane- κ<i>P</i>)iridium(I) dichloromethane monosolvate | - C46 H40 Cl3 Fe2 Ir O P2 - | - C46 H40 Cl3 Fe2 Ir O P2 - | - C92 H80 Cl6 Fe4 Ir2 O2 P4 - | 2 | 1 | GG3257 | Muller, Alfred; Otto, Stefanus | <i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate | Acta Crystallographica Section C | 2,011 | 67 | 5 | m165 | m168 | 10.1107/S0108270111014107 | 0.71069 | MoKα | 0.0987 | 0.0475 | null | null | 0.0938 | 0.1064 | null | null | null | null | null | 0.913 | null | null | has coordinates,has disorder,has Fobs | Muller, Alfred; Otto, Stefanus
<i>trans</i>-Carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)rhodium(I) dichloromethane monosolvate and <i>trans</i>-carbonylchloridobis(ferrocenyldiphenylphosphane-κ<i>P</i>)iridium(I) dichloromethane monosolvate
Acta Crystallographica Section C
67(5)
(2011)
m165-m168 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018066.cif $
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2,007,592 | 8.11 | 0.001 | 10.045 | 0.002 | 30.67 | 0.003 | 90 | null | 90.8 | 0.3 | 90 | null | 2,498.3 | 0.7 | 294 | null | 294 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C27 H24 Cl2 N4 O2 S - | - C27 H24 Cl2 N4 O2 S - | - C108 H96 Cl8 N16 O8 S4 - | 4 | 1 | CF1198 | Benelbaghdadi, Rachida; Benharref, Ahmed; Hasnaoui, Aïssa; Lavergne, Jean-Pierre; Giorgi, Michel; Pierrot, Marcel | Some 1,3-Dipolar Adducts from Benzodiazepine. II. Condensation of Nitrilimines with [1,4]Benzodiazepine and [1,4]Benzodiazepin-2-one | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1343 | 1345 | 10.1107/S0108270198003825 | 0.71073 | Mo_Kα | 0.132 | 0.047 | null | null | 0.062 | null | null | null | null | 1.655 | 1.655 | null | null | null | has coordinates,has Fobs | Benelbaghdadi, Rachida; Benharref, Ahmed; Hasnaoui, Aïssa; Lavergne, Jean-Pierre; Giorgi, Michel; Pierrot, Marcel
Some 1,3-Dipolar Adducts from Benzodiazepine. II. Condensation of Nitrilimines with [1,4]Benzodiazepine and [1,4]Benzodiazepin-2-one
Acta Crystallographica Section C
54(9)
(1998)
1343-1345 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007592.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,593 | 10.8058 | 0.0003 | 11.1736 | 0.0003 | 16.7577 | 0.0005 | 93.7 | 0.001 | 90.732 | 0.001 | 100.238 | 0.001 | 1,986.35 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tris(diethyldithiocarbamato-S,S')- tris(μ^2^-η~2~-disulfido)(μ~3~-sulfido)trimolybdenum(IV) (3Mo—Mo) diethyldithiocarbamate | - C20 H40 Mo3 N4 S15 - | - C20 H36 Mo3 N4 S15 - | - C40 H72 Mo6 N8 S30 - | 2 | 1 | CF1227 | Hong-Ping Zhu; Chang-Neng Chen; Qiu-Tian Liu; Jiu-Tong Chen | A Triangular [Mo~3~S~7~]^4+^ Complex: Tris(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tris(μ~2~-η^2^-disulfido)(μ~3~-sulfido)trimolybdenum(IV)(3 <i>Mo</i>—<i>Mo</i>)Diethyldithiocarbamate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1273 | 1275 | 10.1107/S0108270198003643 | 0.71073 | MoKα | 0.033 | 0.03 | null | 0.09 | 0.082 | null | null | null | 0.845 | 0.802 | 0.802 | null | null | null | has coordinates | Hong-Ping Zhu; Chang-Neng Chen; Qiu-Tian Liu; Jiu-Tong Chen
A Triangular [Mo~3~S~7~]^4+^ Complex: Tris(diethyldithiocarbamato-<i>S</i>,<i>S</i>')tris(μ~2~-η^2^-disulfido)(μ~3~-sulfido)trimolybdenum(IV)(3 <i>Mo</i>—<i>Mo</i>)Diethyldithiocarbamate
Acta Crystallographica Section C
54(9)
(1998)
1273-1275 | 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/2/00/75/2007593.cif $
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2,007,594 | 13.074 | 0.002 | 17.354 | 0.002 | 13.794 | 0.004 | 90 | null | 90 | null | 90 | null | 3,129.7 | 1.1 | 293 | null | 293 | null | null | null | null | null | 6 | C m c 21 | C 2c -2 | 36 | Bis(1,4-dimethyl-1,4,7-triazacyclononanyl)-μ-aqua- μ-acetato-μ-hydroxodicopper(II) perchlorate | - C18 H44 Cl2 Cu2 N6 O12 - | - C18 H42 Cl2 Cu2 N6 O12 - | - C72 H168 Cl8 Cu8 N24 O48 - | 4 | 0.5 | CF1241 | Elliot, David J.; Martin, Lisandra L.; Taylor, Max R. | μ-Acetato-μ-aqua-μ-hydroxo-bis[(1,4-dimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)] Diperchlorate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1259 | 1261 | 10.1107/S0108270198004375 | 0.71073 | MoKα | 0.041 | 0.039 | null | 0.092 | 0.09 | null | null | null | 1.705 | 1.706 | 1.706 | null | null | null | has coordinates | Elliot, David J.; Martin, Lisandra L.; Taylor, Max R.
μ-Acetato-μ-aqua-μ-hydroxo-bis[(1,4-dimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>)copper(II)] Diperchlorate
Acta Crystallographica Section C
54(9)
(1998)
1259-1261 | 192,027 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-13 17:46:56 +0200 (Mon, 13 Feb 2017) $
#$Revision: 192027 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007594.cif $
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2,018,065 | 8.15051 | 0.00015 | 17.4091 | 0.0003 | 19.7447 | 0.0004 | 90 | null | 90 | null | 90 | null | 2,801.64 | 0.09 | 292 | 2 | 292 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate | - C26 H24 Cu2 N6 O11 - | - C26 H24 Cu2 N6 O11 - | - C104 H96 Cu8 N24 O44 - | 4 | 1 | GG3255 | Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo | μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate | Acta Crystallographica Section C | 2,011 | 67 | 5 | m130 | m133 | 10.1107/S0108270111011048 | 0.71073 | MoKα | 0.0427 | 0.0292 | null | null | 0.0527 | 0.0542 | null | null | null | null | null | 0.911 | null | null | has coordinates,has Fobs | Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo
μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate
Acta Crystallographica Section C
67(5)
(2011)
m130-m133 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018065.cif $
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2,007,595 | 15.3046 | 0.001 | 14.5739 | 0.001 | 6.4175 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,431.41 | 0.19 | 180 | 2 | 180 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | 7-Methyl-3,7,11,17-tetra-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene | - C14 H24 N4 - | - C14 H24 N4 - | - C56 H96 N16 - | 4 | 0.5 | CF1244 | Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H. | 7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1327 | 1329 | 10.1107/S0108270198004387 | 0.71073 | MoKα | 0.0658 | 0.0479 | null | null | null | 0.1222 | null | null | null | null | null | 1.162 | null | null | has coordinates,has disorder | Corden, Jonathan P.; Errington, William; Moore, Peter; Wallbridge, Malcolm G.H.
7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
Acta Crystallographica Section C
54(9)
(1998)
1327-1329 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007595.cif $
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2,007,596 | 7.185 | 0.001 | 11.3264 | 0.0008 | 13.443 | 0.001 | 90 | null | 93.48 | 0.01 | 90 | null | 1,091.98 | 0.19 | 294.2 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C11 H12 B F2 N O - | - C11 H12 B F2 N O - | - C44 H48 B4 F8 N4 O4 - | 4 | 1 | DE1049 | Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao | 1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1324 | 1327 | 10.1107/S0108270197004332 | 0.7107 | MoKα | null | 0.057 | null | null | 0.038 | null | null | null | null | 3.14 | 3.14 | null | null | null | has coordinates | Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao
1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts
Acta Crystallographica Section C
54(9)
(1998)
1324-1327 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,597 | 6.043 | 0.002 | 11.192 | 0.002 | 15.715 | 0.002 | 90 | null | 99.76 | 0.01 | 90 | null | 1,047.5 | 0.4 | 294.2 | null | 294.2 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H24 B2 F4 N2 O2 - | - C22 H24 B2 F4 N2 O2 - | - C44 H48 B4 F8 N4 O4 - | 2 | 0.5 | DE1049 | Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao | 1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1324 | 1327 | 10.1107/S0108270197004332 | 0.7107 | MoKα | null | 0.052 | null | null | 0.037 | null | null | null | null | 1.64 | 1.64 | null | null | null | has coordinates | Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao
1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts
Acta Crystallographica Section C
54(9)
(1998)
1324-1327 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,598 | 14.685 | 0.002 | 8.679 | 0.003 | 17.769 | 0.003 | 90 | null | 111.75 | 0.01 | 90 | null | 2,103.5 | 0.9 | 289.2 | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C22 H24 B2 F4 N2 O2 - | - C22 H24 B2 F4 N2 O2 - | - C88 H96 B8 F16 N8 O8 - | 4 | 1 | DE1049 | Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao | 1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1324 | 1327 | 10.1107/S0108270197004332 | 0.7107 | MoKα | null | 0.0848 | null | null | 0.0518 | null | null | null | null | 1.341 | 1.341 | null | null | null | has coordinates | Itoh, Kuniaki; Fujimoto, Miki; Hashimoto, Masao
1-Difluoroboronyloxy-3-(<i>N</i>-methylimino)-1-phenyl-1-butene and its Two Photoproducts
Acta Crystallographica Section C
54(9)
(1998)
1324-1327 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,599 | 8.0599 | 0.001 | 8.419 | 0.001 | 8.4446 | 0.0008 | 78.078 | 0.009 | 78.886 | 0.011 | 61.473 | 0.007 | 489.63 | 0.1 | 295 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 8-Ammonioquinolinium dichloride | - C9 H10 Cl2 N2 - | - C9 H10 Cl2 N2 - | - C18 H20 Cl4 N4 - | 2 | 1 | DE1080 | Yaw Kai Yan; Ngoh Khang Goh; Lian Ee Khoo | 8-Ammonioquinolinium Dichloride | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1322 | 1324 | 10.1107/S0108270198003977 | 0.71073 | MoKα | null | 0.0275 | null | null | null | 0.0835 | null | null | null | null | null | 1.051 | null | null | has coordinates | Yaw Kai Yan; Ngoh Khang Goh; Lian Ee Khoo
8-Ammonioquinolinium Dichloride
Acta Crystallographica Section C
54(9)
(1998)
1322-1324 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007599.cif $
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2,007,600 | 18.005 | 0.003 | 7.497 | 0.003 | 11.796 | 0.002 | 90 | null | 90 | null | 90 | null | 1,592.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Vanadyl diarsénovanadate de césium | - As2.54 Cs2 O17 V4.46 - | - As2.54 Cs2 O17 V4.46 - | - As10.16 Cs8 O68 V17.84 - | 4 | 0.5 | DU1175 | Haddad, Amor; Boughzala, Habib; Jouini, Tahar | Cs~2~V~3~(As~0,635~V~0,365~)~4~O~17~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1202 | 1204 | 10.1107/S0108270197007415 | 0.71069 | RadiationMoKα | 0.0606 | 0.0307 | null | 0.0682 | 0.0592 | null | null | null | 1.133 | 1.183 | 1.183 | null | null | null | has coordinates | Haddad, Amor; Boughzala, Habib; Jouini, Tahar
Cs~2~V~3~(As~0,635~V~0,365~)~4~O~17~
Acta Crystallographica Section C
54(9)
(1998)
1202-1204 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,601 | 10.263 | 0.002 | 10.27 | 0.002 | 20.42 | 0.002 | 90 | null | 98.38 | 0.03 | 90 | null | 2,129.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - O22 Rb5 Sb7 Ti - | - O22 Rb5 Sb7 Ti - | - O88 Rb20 Sb28 Ti4 - | 4 | 0.5 | FG1383 | Almgren, Jenni; Svensson, Göran; Albertsson, Jörgen | Rubidium Antimony(V) Titanium Oxide, Rb~5~Sb~7~TiO~22~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1206 | 1209 | 10.1107/S0108270198003837 | 0.71073 | MoKα | 0.0872 | 0.0499 | null | 0.1004 | 0.0871 | null | null | null | 1.273 | 1.323 | 1.323 | null | null | null | has coordinates | Almgren, Jenni; Svensson, Göran; Albertsson, Jörgen
Rubidium Antimony(V) Titanium Oxide, Rb~5~Sb~7~TiO~22~
Acta Crystallographica Section C
54(9)
(1998)
1206-1209 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,602 | 8.582 | 0.002 | 11.313 | 0.002 | 16.251 | 0.003 | 74.75 | 0.03 | 87.29 | 0.03 | 83.16 | 0.03 | 1,511.2 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H27 Fe2 N3 O21 - | - C21 H25 Fe2 N3 O21 - | - C42 H50 Fe4 N6 O42 - | 2 | 1 | FG1421 | Abboud, Khalil A.; Xu, Cheng; Drago, Russell S. | Triaqua(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Bis(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Hexahydrate: an Unusual Ion-Pair Compound | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1270 | 1273 | 10.1107/S0108270198000183 | 0.71073 | MoKα | 0.045 | 0.035 | null | null | 0.092 | 0.097 | null | null | null | null | null | 1.037 | null | null | has coordinates,has disorder | Abboud, Khalil A.; Xu, Cheng; Drago, Russell S.
Triaqua(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Bis(pyridine-2,6-dipicolinato-<i>O</i>,<i>N</i>,<i>O</i>')iron(III) Hexahydrate: an Unusual Ion-Pair Compound
Acta Crystallographica Section C
54(9)
(1998)
1270-1273 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,007,603 | 21.558 | 0.004 | 6.5897 | 0.0012 | 18.861 | 0.002 | 90 | null | 111.891 | 0.01 | 90 | null | 2,486.2 | 0.7 | 150 | 1 | 150 | 1 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 3-Hydroxy-2,16-dioxatetracyclo[9.4.0.0^3,8^.1^1,8^]hexadecane | - C14 H22 O3 - | - C14 H22 O3 - | - C112 H176 O24 - | 8 | 1 | FG1423 | Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A. | 10,16-Dioxatetracyclo[7.6.1.0^1,11^.0^4,9^]hexadecan-11-ol | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1285 | 1287 | 10.1107/S0108270198003849 | 0.71069 | MoKα | 0.0925 | 0.0399 | null | 0.1251 | 0.0964 | null | null | null | 1.014 | 1.055 | 1.055 | null | null | null | has coordinates | Parvez, Masood; Sultana, Naheed; Sarfaraz, Tahira B.; Husain, Shaheen A.
10,16-Dioxatetracyclo[7.6.1.0^1,11^.0^4,9^]hexadecan-11-ol
Acta Crystallographica Section C
54(9)
(1998)
1285-1287 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007603.cif $
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2,018,064 | 9.651 | 0.002 | 10.045 | 0.002 | 10.661 | 0.002 | 107.4 | 0.004 | 90.371 | 0.004 | 118.019 | 0.003 | 857.3 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)cobalt(II) tetrahydrate | diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]cobalt(II) tetrahydrate | - C28 H38 Co N12 O14 - | - C28 H34 Co N12 O14 - | - C28 H34 Co N12 O14 - | 1 | 0.5 | GD3385 | Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo | Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue | Acta Crystallographica Section C | 2,011 | 67 | 5 | m169 | m172 | 10.1107/S0108270111014521 | 0.71073 | MoKα | 0.0766 | 0.0508 | null | null | 0.1123 | 0.1263 | null | null | null | null | null | 0.996 | null | null | has coordinates,has Fobs | Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo
Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue
Acta... | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018064.cif $
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2,007,604 | 15.8782 | 0.0011 | 5.784 | 0.0009 | 17.1481 | 0.0009 | 90 | null | 107.535 | 0.004 | 90 | null | 1,501.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | S-(ethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine | - C15 H15 N O3 S2 - | - C15 H15 N O3 S2 - | - C60 H60 N4 O12 S8 - | 4 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71069 | MoKα | 0.04 | 0.03 | null | null | null | 0.081 | null | null | null | null | null | 1.081 | null | null | has coordinates | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007604.cif $
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2,007,605 | 35.6712 | 0.0018 | 5.8847 | 0.0019 | 15.4068 | 0.0015 | 90 | null | 90.737 | 0.007 | 90 | null | 3,233.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | (E)-S-(propenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine | - C16 H17 N O3 S2 - | - C16 H17 N O3 S2 - | - C128 H136 N8 O24 S16 - | 8 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71069 | MoKα | 0.06 | 0.038 | null | null | null | 0.111 | null | null | null | null | null | 1.03 | null | null | has coordinates | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007605.cif $
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2,007,606 | 10.37 | 0.002 | 9.9267 | 0.0018 | 19.9997 | 0.0016 | 90 | null | 94.285 | 0.01 | 90 | null | 2,053 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (E)-S-(2-cyclohexylethenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine | - C21 H25 N O3 S2 - | - C21 H25 N O3 S2 - | - C84 H100 N4 O12 S8 - | 4 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71069 | MoKα | 0.06 | 0.038 | null | null | null | 0.104 | null | null | null | null | null | 1.026 | null | null | has coordinates,has disorder | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,607 | 9.968 | 0.003 | 11.6851 | 0.0014 | 18.509 | 0.004 | 90 | null | 90 | null | 90 | null | 2,155.9 | 0.8 | 160 | 2 | 160 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (E)-S-phenyl-S-(4-phenylbut-1-enyl)-N-(p-tolylsulfonyl)sulfoximine | - C23 H23 N O3 S2 - | - C23 H23 N O3 S2 - | - C92 H92 N4 O12 S8 - | 4 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71073 | MoKα | 0.083 | 0.035 | null | null | null | 0.095 | null | null | null | null | null | 1.024 | null | null | has coordinates | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007607.cif $
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2,007,608 | 13.876 | 0.007 | 21.926 | 0.008 | 9.363 | 0.002 | 97.05 | 0.03 | 91.78 | 0.03 | 99.83 | 0.03 | 2,781.7 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | (E)-S-(2-trimethylsilylphenyl)-S-(3-methyl-1-trimethylsilylbut-1-enyl)- N-(p-tolylsulfonyl)sulfoximine | - C24 H37 N O3 S2 Si2 - | - C24 H37 N O3 S2 Si2 - | - C96 H148 N4 O12 S8 Si8 - | 4 | 2 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71069 | MoKα | 0.057 | 0.036 | null | null | null | 0.109 | null | null | null | null | null | 1.044 | null | null | has coordinates | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007608.cif $
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2,007,609 | 11.142 | 0.003 | 17.128 | 0.004 | 15.541 | 0.004 | 90 | null | 100.35 | 0.03 | 90 | null | 2,917.6 | 1.3 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | (E)-S-(2-trimethylsilylphenyl)-S-(2-phenyl-1-trimethylsilylethenyl)- N-(p-tolylsulfonyl)sulfoximine | - C27 H35 N O3 S2 Si2 - | - C27 H35 N O3 S2 Si2 - | - C108 H140 N4 O12 S8 Si8 - | 4 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71073 | MoKα | 0.103 | 0.068 | null | null | null | 0.227 | null | null | null | null | null | 1.013 | null | null | has coordinates,has disorder | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007609.cif $
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2,007,610 | 11.019 | 0.002 | 17.093 | 0.004 | 11.044 | 0.003 | 90 | null | 99.73 | 0.03 | 90 | null | 2,050.2 | 0.8 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (E)-S-(1-trimethylsilylprop-1-enyl)-S-phenyl-N-(p-tolylsulfonyl)sulfoximine | - C19 H25 N O3 S2 Si - | - C19 H25 N O3 S2 Si - | - C76 H100 N4 O12 S8 Si4 - | 4 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71073 | MoKα | 0.076 | 0.047 | null | null | null | 0.149 | null | null | null | null | null | 1.197 | null | null | has coordinates | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,611 | 9.747 | 0.002 | 10.648 | 0.002 | 15.418 | 0.003 | 90 | null | 90 | null | 90 | null | 1,600.2 | 0.5 | 160 | 2 | 160 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | phenyl vinylsulfone | - C8 H8 O2 S - | - C8 H8 O2 S - | - C64 H64 O16 S8 - | 8 | 1 | FG1428 | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W. | Conformational Variations in Vinylsulfoximines | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1335 | 1341 | 10.1107/S0108270198004508 | 0.71073 | MoKα | 0.039 | 0.03 | null | null | null | 0.087 | null | null | null | null | null | 1.054 | null | null | has coordinates | Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.
Conformational Variations in Vinylsulfoximines
Acta Crystallographica Section C
54(9)
(1998)
1335-1341 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,018,063 | 9.655 | 0.004 | 10.017 | 0.004 | 10.68 | 0.004 | 107.082 | 0.005 | 90.384 | 0.006 | 118.537 | 0.005 | 854 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato- κ<i>O</i>)nickel(II) tetrahydrate | diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis[2-(2- carboxylatophenyl)acetato-κ<i>O</i>]nickel(II) tetrahydrate | - C28 H38 N12 Ni O14 - | - C28 H34 N12 Ni O14 - | - C28 H34 N12 Ni O14 - | 1 | 0.5 | GD3385 | Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo | Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue | Acta Crystallographica Section C | 2,011 | 67 | 5 | m169 | m172 | 10.1107/S0108270111014521 | 0.71073 | MoKα | 0.0383 | 0.0354 | null | null | 0.0952 | 0.0973 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Atria, Ana María; Corsini, Gino; Herrera, Natalia; Garland, Maria Teresa; Baggio, Ricardo
Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(homophthalato-κ<i>O</i>)nickel(II) tetrahydrate and the cobalt(II) analogue
Acta... | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018063.cif $
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2,007,612 | 9.057 | 0.002 | 11.092 | 0.003 | 7.299 | 0.002 | 106.31 | 0.02 | 108.15 | 0.02 | 77.88 | 0.02 | 662.7 | 0.3 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H32 Fe N2 O10 - | - C24 H32 Fe N2 O10 - | - C24 H32 Fe N2 O10 - | 1 | 0.5 | FG1437 | Okabe, Nobuo; Makino, Tomomi | <i>trans</i>-Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)iron(II)–Ethanol–Water (1/2/2) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1279 | 1280 | 10.1107/S0108270198004739 | 0.71069 | MoKα | null | 0.068 | null | null | 0.089 | null | null | null | null | 1.68 | 1.68 | null | null | null | has coordinates | Okabe, Nobuo; Makino, Tomomi
<i>trans</i>-Diaquabis(2-quinolinecarboxylato-<i>N</i>,<i>O</i>)iron(II)–Ethanol–Water (1/2/2)
Acta Crystallographica Section C
54(9)
(1998)
1279-1280 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007612.cif $
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2,007,613 | 17.441 | 0.002 | 10.9569 | 0.0012 | 10.756 | 0.003 | 90 | null | 107.69 | 0.011 | 90 | null | 1,958.3 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-(N-Methyl-N-benzyl)carbamoyl-1,2,4- trimethylquinolinium iodide | - C21 H23 I N2 O - | - C21 H23 I N2 O - | - C84 H92 I4 N8 O4 - | 4 | 1 | FG1441 | Lutz, Martin; Spek, Anthony L. | 3-(<i>N</i>-Benzyl-<i>N</i>-methylcarbamoyl)-1,2,4-trimethylquinolinium Iodide | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1291 | 1292 | 10.1107/S010827019800314X | 0.71073 | MoKα | 0.033 | 0.029 | null | null | null | 0.085 | null | null | null | null | null | 1.136 | null | null | has coordinates | Lutz, Martin; Spek, Anthony L.
3-(<i>N</i>-Benzyl-<i>N</i>-methylcarbamoyl)-1,2,4-trimethylquinolinium Iodide
Acta Crystallographica Section C
54(9)
(1998)
1291-1292 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,614 | 13.9138 | 0.0016 | 8.2036 | 0.0013 | 14.555 | 0.002 | 90 | null | 99.836 | 0.01 | 90 | null | 1,636.9 | 0.4 | 295 | null | 295 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H25 Br2 Mg N O - | - C10 H23.9 Br2 Mg N O - | - C40 H95.6 Br8 Mg4 N4 O4 - | 4 | 1 | FG1446 | Henderson, Kenneth W.; Kennedy, Alan R. | Dibromo(diethyl ether-<i>O</i>)(diisopropylamine-<i>N</i>)magnesium(II) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1238 | 1240 | 10.1107/S0108270198003655 | 0.71069 | MoKα | 0.112 | 0.033 | null | null | null | 0.096 | null | null | null | null | null | 0.986 | null | null | has coordinates | Henderson, Kenneth W.; Kennedy, Alan R.
Dibromo(diethyl ether-<i>O</i>)(diisopropylamine-<i>N</i>)magnesium(II)
Acta Crystallographica Section C
54(9)
(1998)
1238-1240 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $
#$Revision: 198601 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007614.cif $
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2,007,615 | 9.703 | 0.001 | 5.582 | 0.001 | 12.765 | 0.001 | 90 | null | 97.9 | 0.01 | 90 | null | 684.82 | 0.15 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 3-oxo-1-cyclohexene-1-carboxylic acid | 3-oxo-1-cyclohexene-1-carboxylic acid | - C7 H8 O3 - | - C7 H8 O3 - | - C28 H32 O12 - | 4 | 1 | FG1448 | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. | 3-Oxo-1-cyclohexene-1-carboxylic Acid: Catemeric Hydrogen Bonding and Flexional Ring Disorder in a γ-Keto Acid | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1282 | 1285 | 10.1107/S0108270198004740 | 0.71073 | MoKα | 0.084 | 0.048 | null | 0.137 | 0.117 | null | null | null | 1.06 | 1.15 | 1.15 | null | null | null | has coordinates,has disorder | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
3-Oxo-1-cyclohexene-1-carboxylic Acid: Catemeric Hydrogen Bonding and Flexional Ring Disorder in a γ-Keto Acid
Acta Crystallographica Section C
54(9)
(1998)
1282-1285 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,616 | 13.488 | 0.005 | 10.113 | 0.003 | 22.223 | 0.01 | 90 | null | 98.78 | 0.02 | 90 | null | 2,996 | 2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C17 H29 K O6 Se8 W - | - C17 H29 K O6 Se8 W - | - C68 H116 K4 O24 Se32 W4 - | 4 | 1 | FG1451 | Thöne, Carsten; Jones, Peter G.; Laube, Jörg; Jäger, Stefan | Organometallic Selenolates. IX. (18-Crown-6)-potassium (η^5^-cyclopentadienyl)bis(1,4-tetraselenido-<i>Se</i>^1^,<i>Se</i>^4^)tungstate(IV) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1247 | 1249 | 10.1107/S0108270198004752 | 0.71073 | MoKα | 0.146 | 0.065 | null | 0.164 | 0.135 | null | null | null | 0.92 | 1.077 | 1.077 | null | null | null | has coordinates | Thöne, Carsten; Jones, Peter G.; Laube, Jörg; Jäger, Stefan
Organometallic Selenolates. IX. (18-Crown-6)-potassium (η^5^-cyclopentadienyl)bis(1,4-tetraselenido-<i>Se</i>^1^,<i>Se</i>^4^)tungstate(IV)
Acta Crystallographica Section C
54(9)
(1998)
1247-1249 | 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/2/00/76/2007616.cif $
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2,018,062 | 5.8272 | 0.0013 | 13.319 | 0.003 | 19.38 | 0.004 | 90 | null | 96.544 | 0.002 | 90 | null | 1,494.3 | 0.6 | 100 | null | 100 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile | 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]benzene-1,2-dicarbonitrile | - C16 H6 Cl F5 N2 O2 - | - C16 H6 Cl F5 N2 O2 - | - C64 H24 Cl4 F20 N8 O8 - | 4 | 1 | GD3379 | Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka | The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile | Acta Crystallographica Section C | 2,011 | 67 | 5 | o154 | o156 | 10.1107/S0108270111008675 | 0.71073 | MoKα | 0.0425 | 0.0336 | null | null | 0.0821 | 0.0876 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka
The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile
Acta Crystallographica Section C
67(5)
(2011)
o154-o156 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,007,617 | 18.049 | 0.001 | 8.637 | 0.001 | 13.908 | 0.001 | 90 | null | 128.25 | 0.05 | 90 | null | 1,702.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C16 H18 Cl O2 P S - | - C16 H18 Cl O2 P S - | - C64 H72 Cl4 O8 P4 S4 - | 4 | 0.5 | FR1051 | Aygün, Muhittin.; Işík, Şamil.; Odabaşoǧlu, Mustafa; Tahir,M.Nawaz; Erdönmez, Ahmet.; Büyükgüngör, Orhan. | Bis(2,6-dimethylphenyl) Chlorothiophosphate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1345 | 1347 | 10.1107/S0108270198003291 | 0.71069 | MoKα | 0.0342 | 0.0313 | null | 0.0872 | 0.0856 | null | null | null | 1.141 | 1.178 | 1.178 | null | null | null | has coordinates,has disorder | Aygün, Muhittin.; Işík, Şamil.; Odabaşoǧlu, Mustafa; Tahir,M.Nawaz; Erdönmez, Ahmet.; Büyükgüngör, Orhan.
Bis(2,6-dimethylphenyl) Chlorothiophosphate
Acta Crystallographica Section C
54(9)
(1998)
1345-1347 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,618 | 20.977 | 0.003 | 5.2741 | 0.0004 | 15.406 | 0.002 | 90 | null | 121.422 | 0.007 | 90 | null | 1,454.5 | 0.3 | 298 | null | 0 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | triammonium dizinc vanadium diphosphate di(hydrogen phosphate) | - H14 N3 O16 P4 V Zn2 - | - N3 O16 P4 V Zn2 - | - N12 O64 P16 V4 Zn8 - | 4 | 0.5 | FR1102 | Bircsak, Zsolt; Harrison, William T. A. | Ammonium Zinc Vanadium Phosphate, (NH~4~)~3~Zn~2~V(PO~4~)~2~(HPO~4~)~2~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1197 | 1200 | 10.1107/S0108270198003667 | 0.71073 | MoKα | null | 0.038 | null | null | 0.036 | null | null | null | null | 1.92 | 1.92 | null | null | null | has coordinates,has Fobs | Bircsak, Zsolt; Harrison, William T. A.
Ammonium Zinc Vanadium Phosphate, (NH~4~)~3~Zn~2~V(PO~4~)~2~(HPO~4~)~2~
Acta Crystallographica Section C
54(9)
(1998)
1197-1200 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,619 | 7.173 | 0.002 | 8.841 | 0.002 | 9.458 | 0.002 | 65.08 | 0.02 | 70.68 | 0.02 | 69.59 | 0.02 | 497.7 | 0.2 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | triamonium trivanadium(III) hexakis(hydrogen phosphate) | - H18 N3 O24 P6 V3 - | - H14 N3 O24 P6 V3 - | - H14 N3 O24 P6 V3 - | 1 | 0.5 | FR1104 | Bircsak, Zsolt; Harrison, William T. A. | α-Ammonium Vanadium Hydrogen Phosphate, α-(NH~4~)V(HPO~4~)~2~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1195 | 1197 | 10.1107/S0108270198002856 | 0.71073 | MoKα | null | 0.033 | null | null | 0.037 | null | null | null | null | 1.096 | 1.096 | null | null | null | has coordinates | Bircsak, Zsolt; Harrison, William T. A.
α-Ammonium Vanadium Hydrogen Phosphate, α-(NH~4~)V(HPO~4~)~2~
Acta Crystallographica Section C
54(9)
(1998)
1195-1197 | 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/2/00/76/2007619.cif $
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2,007,620 | 9.614 | 0.004 | 10.664 | 0.004 | 12.26 | 0.003 | 112.37 | 0.03 | 100.77 | 0.03 | 90.2 | 0.03 | 1,138 | 0.8 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C44 H52 Mn N6 Ni2 O10 - | - C44 H52 Mn N6 Ni2 O10 - | - C44 H52 Mn N6 Ni2 O10 - | 1 | 0.5 | FR1111 | Ercan, Filiz; Atakol, Orhan | A Linear Trinuclear Ni^II^–Mn^II^–Ni^II^ Complex with a μ-Acetato Bridge: Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}manganese(II) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1268 | 1270 | 10.1107/S0108270198003679 | 0.71073 | MoKα | null | 0.031 | null | null | 0.04 | null | null | null | null | 1.1 | 1.1 | null | null | null | has coordinates | Ercan, Filiz; Atakol, Orhan
A Linear Trinuclear Ni^II^–Mn^II^–Ni^II^ Complex with a μ-Acetato Bridge: Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](<i>N</i>,<i>N</i>-dimethylformamide)nickel(II)}manganese(II)
Acta Crystallographica Section C
54(9)
(1998)
1268-1270 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007620.cif $
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2,007,621 | 12.661 | 0.005 | 13.816 | 0.006 | 7.93 | 0.002 | 96.44 | 0.03 | 96.71 | 0.03 | 109.5 | 0.03 | 1,281.6 | 0.9 | 295 | null | 295 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | N,N'-ethylenebis(3-t-butyl-5-methyl-salicylideneaminato)oxovanadium(IV) | - C26 H34 N2 O3 V - | - C26 H34 N2 O3 V - | - C52 H68 N4 O6 V2 - | 2 | 1 | FR1114 | Haas, Geoffrey; Schimek, George L.; Pennington, William T.; Kolis, Joseph W. | [<i>N</i>,<i>N</i>'-Ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneaminato)]oxovanadium(IV) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1263 | 1265 | 10.1107/S0108270198003990 | 0.7107 | MoKα | 0.1256 | 0.0648 | null | 0.0616 | null | 0.0572 | null | null | null | null | null | 1.88 | null | null | has coordinates | Haas, Geoffrey; Schimek, George L.; Pennington, William T.; Kolis, Joseph W.
[<i>N</i>,<i>N</i>'-Ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneaminato)]oxovanadium(IV)
Acta Crystallographica Section C
54(9)
(1998)
1263-1265 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007621.cif $
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2,007,622 | 11.059 | 0.003 | 7.862 | 0.002 | 21.828 | 0.004 | 90 | null | 97.17 | 0.02 | 90 | null | 1,883 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | 7 | C 1 c 1 | C -2yc | 9 | Sodium ethylenediamminetetraacetato μ-oxo-μ-sulfido bisoxomolybdenum(V) dihydrate | - C10 H16 Mo2 N2 Na2 O13 S - | - C10 H12 Mo2 N2 Na2 O13 S - | - C40 H48 Mo8 N8 Na8 O52 S4 - | 4 | 1 | FR1115 | Valente, Edward J.; Zubkowski, Jeffrey D.; Hicks, Kenneth W. | Na~2~[(μ-<i>N</i>,<i>N</i>'-C~10~H~12~N~2~O~8~)(μ-O)(μ-S)Mo~2~O~2~].2H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1265 | 1268 | 10.1107/S0108270198003163 | 0.71073 | MoKα | 0.086 | 0.047 | null | null | null | 0.115 | null | null | 0.788 | null | null | 0.788 | null | null | has coordinates | Valente, Edward J.; Zubkowski, Jeffrey D.; Hicks, Kenneth W.
Na~2~[(μ-<i>N</i>,<i>N</i>'-C~10~H~12~N~2~O~8~)(μ-O)(μ-S)Mo~2~O~2~].2H~2~O
Acta Crystallographica Section C
54(9)
(1998)
1265-1268 | 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/2/00/76/2007622.cif $
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2,018,061 | 9.808 | 0.004 | 6.555 | 0.003 | 22.018 | 0.009 | 90 | null | 93.259 | 0.004 | 90 | null | 1,413.3 | 1 | 100 | null | 100 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4-Chloro-5-(2-phenoxyethoxy)phthalonitrile | 4-Chloro-5-(2-phenoxyethoxy)benzene-1,2-dicarbonitrile | - C16 H11 Cl N2 O2 - | - C16 H11 Cl N2 O2 - | - C64 H44 Cl4 N8 O8 - | 4 | 1 | GD3379 | Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka | The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile | Acta Crystallographica Section C | 2,011 | 67 | 5 | o154 | o156 | 10.1107/S0108270111008675 | 0.71073 | MoKα | 0.043 | 0.0345 | null | null | 0.0821 | 0.0874 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Hori, Akiko; Inoue, Yuta; Yuge, Hidetaka
The effect of Cl···π interactions on the conformations of 4-chloro-5-(2-phenoxyethoxy)phthalonitrile and 4-chloro-5-[2-(pentafluorophenoxy)ethoxy]phthalonitrile
Acta Crystallographica Section C
67(5)
(2011)
o154-o156 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,007,623 | 5.2789 | 0.0012 | 25.266 | 0.011 | 7.139 | 0.003 | 90 | null | 103.49 | 0.03 | 90 | null | 925.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | cyclodecanol | cyclodecanol | - C10 H20 O - | - C10 H20 O - | - C40 H80 O4 - | 4 | 1 | FR1118 | Valente, Edward J.; Pawar, Diwakar M.; Noe, Eric A. | Cyclodecanol | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1302 | 1304 | 10.1107/S0108270198003308 | 0.71073 | MoKα | 0.172 | 0.056 | null | null | null | 0.138 | null | null | null | null | null | 0.6 | null | null | has coordinates | Valente, Edward J.; Pawar, Diwakar M.; Noe, Eric A.
Cyclodecanol
Acta Crystallographica Section C
54(9)
(1998)
1302-1304 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,624 | 8.945 | 0.001 | 11.472 | 0.001 | 14.649 | 0.002 | 90 | null | 106.36 | 0.01 | 90 | null | 1,442.4 | 0.3 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 6,6'-dimethylbiphenyl-2,2'-dicarboxylic acid | - C16 H14 O4 - | - C16 H14 O4 - | - C64 H56 O16 - | 4 | 1 | FR1132 | Gerkin, Roger E. | 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic Acid (6,6'-Dimethyldiphenic Acid) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1369 | 1372 | 10.1107/S0108270198005204 | 0.71073 | MoKα | null | 0.052 | null | null | 0.084 | null | null | null | null | 1.61 | 1.61 | null | null | null | has coordinates | Gerkin, Roger E.
6,6'-Dimethylbiphenyl-2,2'-dicarboxylic Acid (6,6'-Dimethyldiphenic Acid)
Acta Crystallographica Section C
54(9)
(1998)
1369-1372 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007624.cif $
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2,007,625 | 7.7244 | 0.0006 | 9.9912 | 0.0014 | 13.82 | 0.003 | 90 | null | 91.006 | 0.011 | 90 | null | 1,066.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 6-Chloro-7-(carboxymethyl)purine Ethyl Ester | - C9 H9 Cl N4 O2 - | - C9 H9 Cl N4 O2 - | - C36 H36 Cl4 N16 O8 - | 4 | 1 | HA1208 | Sood, Geeta; Schwalbe, Carl H.; Fraser, William | 7-(Carboxymethyl)-6-chloropurine Ethyl Ester | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1316 | 1318 | 10.1107/S010827019800345X | 1.54178 | CuKα | 0.038 | 0.034 | null | 0.082 | 0.079 | null | null | null | 1.071 | 1.085 | 1.085 | null | null | null | has coordinates | Sood, Geeta; Schwalbe, Carl H.; Fraser, William
7-(Carboxymethyl)-6-chloropurine Ethyl Ester
Acta Crystallographica Section C
54(9)
(1998)
1316-1318 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007625.cif $
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2,007,626 | 22.036 | 0.004 | 9.243 | 0.002 | 19.816 | 0.003 | 90 | null | 90 | null | 90 | null | 4,036.1 | 1.3 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | Bistitanium (IV) tetraisopropoxide di-μ-isopropoxide di-2,4,6-trimethylphenoxide | - C36 H64 O8 Ti2 - | - C36 H64 O8 Ti2 - | - C144 H256 O32 Ti8 - | 4 | 0.5 | HA1214 | James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy | [Ti~2~(O-2,4,6-Me~3~C~6~H~2~)~2~(O^<i>i^</i>Pr)~4~(μ-O^<i>i^</i>Pr)~2~] | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1261 | 1263 | 10.1107/S0108270198003461 | 0.71073 | MoKα | 0.1 | 0.056 | null | 0.172 | 0.15 | null | null | null | 0.977 | 1.088 | 1.088 | null | null | null | has coordinates | James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy
[Ti~2~(O-2,4,6-Me~3~C~6~H~2~)~2~(O^<i>i^</i>Pr)~4~(μ-O^<i>i^</i>Pr)~2~]
Acta Crystallographica Section C
54(9)
(1998)
1261-1263 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007626.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,980 | 4.1459 | 0.0002 | 9.6731 | 0.0005 | 18.8178 | 0.0009 | 90 | null | 90 | null | 90 | null | 754.66 | 0.06 | 200 | 2 | 200 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | α-Bromo-acetophenone | 2-Bromo-1-phenylethanone | - C8 H7 Br O - | - C8 H7 Br O - | - C32 H28 Br4 O4 - | 4 | 1 | FY2008 | Betz, Richard; McCleland, Cedric; Marchand, Harold | 2-Bromo-1-phenylethanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1207 | 10.1107/S1600536811014644 | 0.71073 | MoKα | 0.0332 | 0.0289 | null | null | 0.0703 | 0.0721 | null | null | null | null | null | 1.075 | null | null | has coordinates,has Fobs | Betz, Richard; McCleland, Cedric; Marchand, Harold
2-Bromo-1-phenylethanone
Acta Crystallographica Section E
67(5)
(2011)
o1207 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229980.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,627 | 8.2983 | 0.0001 | 14.6086 | 0.0002 | 29.1258 | 0.0004 | 90 | null | 90 | null | 90 | null | 3,530.82 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | N-(2-bromo-4-methylphenyl)-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarine- 8,9-aziridine | - C21 H18 Br N O2 - | - C21 H18 Br N O2 - | - C168 H144 Br8 N8 O16 - | 8 | 1 | HA1215 | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak | An <i>N</i>-Substituted 6,7-Benzocoumarin-8,9-aziridine Derivative | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1299 | 1301 | 10.1107/S0108270198003874 | 0.71073 | MoKα | 0.0863 | 0.0479 | null | 0.1088 | 0.0927 | null | null | null | 1.065 | 1.144 | 1.144 | null | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak
An <i>N</i>-Substituted 6,7-Benzocoumarin-8,9-aziridine Derivative
Acta Crystallographica Section C
54(9)
(1998)
1299-1301 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007627.cif $
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2,007,628 | 23.9096 | 0.0007 | 9.5192 | 0.0003 | 11.9629 | 0.0003 | 90 | null | 112.136 | 0.001 | 90 | null | 2,522.07 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C13 H13 N O3 S - | - C13 H13 N O3 S - | - C104 H104 N8 O24 S8 - | 8 | 1 | HA1219 | Goswami, Shyamaprosad; Ajit Kumar Mahapatra; Gur Dayal Nigam; Chinnakali, Kandasamy; Fun, Hoong-Kun | <i>N</i>-(3-Hydroxyphenyl)-<i>p</i>-toluenesulfonamide | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1301 | 1302 | 10.1107/S010827019800479X | 0.71073 | MoKα | 0.045 | 0.036 | null | 0.102 | 0.096 | null | null | null | 1.058 | 1.084 | 1.084 | null | null | null | has coordinates | Goswami, Shyamaprosad; Ajit Kumar Mahapatra; Gur Dayal Nigam; Chinnakali, Kandasamy; Fun, Hoong-Kun
<i>N</i>-(3-Hydroxyphenyl)-<i>p</i>-toluenesulfonamide
Acta Crystallographica Section C
54(9)
(1998)
1301-1302 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007628.cif $
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2,007,629 | 11.636 | 0.002 | 8.232 | 0.001 | 11.086 | 0.002 | 90 | null | 128.71 | 0.01 | 90 | null | 828.6 | 0.3 | 294 | null | 294 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - Ni O12 P4 Zn - | - Ni0.5 O12 P4 Zn0.5 - | - Ni2 O48 P16 Zn2 - | 4 | 0.5 | JZ1265 | Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M. | A Mixed Zinc‒Nickel <i>cyclo</i>-Tetraphosphate, ZnNiP~4~O~12~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1209 | 1211 | 10.1107/S0108270198003886 | 0.71073 | MoKα | 0.069 | 0.031 | null | null | 0.041 | null | null | null | null | 1.227 | 1.227 | null | null | null | has coordinates,has Fobs | Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M.
A Mixed Zinc‒Nickel <i>cyclo</i>-Tetraphosphate, ZnNiP~4~O~12~
Acta Crystallographica Section C
54(9)
(1998)
1209-1211 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176342 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007629.cif $
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2,007,630 | 9.8205 | 0.001 | 10.9505 | 0.001 | 25.645 | 0.002 | 90 | null | 90 | null | 90 | null | 2,757.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 11α-hydroxy-28-methoxy-28-oxo-2,3-dinor-18β-olean-12-en-1,4-olide | - C29 H46 O6 - | - C29 H44 O6 - | - C116 H176 O24 - | 4 | 1 | JZ1266 | Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula | Triterpenoide. XIII. Über weitere neue Triterpenlactone | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1309 | 1312 | 10.1107/S0108270198003540 | 1.54178 | CuKα | 0.05 | 0.043 | null | 0.133 | 0.122 | null | null | null | 1.061 | 1.042 | 1.042 | null | null | null | has coordinates | Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula
Triterpenoide. XIII. Über weitere neue Triterpenlactone
Acta Crystallographica Section C
54(9)
(1998)
1309-1312 | 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/2/00/76/2007630.cif $
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2,007,631 | 6.58 | 0.001 | 12.1344 | 0.001 | 32.338 | 0.002 | 90 | null | 90 | null | 90 | null | 2,582 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 28-methoxy-28-oxo-1,2-dinor-10α,18β-oleano-9,12-dien-3,10β-olide | - C29 H42 O4 - | - C29 H42 O4 - | - C116 H168 O16 - | 4 | 1 | JZ1266 | Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula | Triterpenoide. XIII. Über weitere neue Triterpenlactone | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1309 | 1312 | 10.1107/S0108270198003540 | 1.54178 | CuKα | 0.041 | 0.033 | null | 0.102 | 0.094 | null | null | null | 1.053 | 1.038 | 1.038 | null | null | null | has coordinates | Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula
Triterpenoide. XIII. Über weitere neue Triterpenlactone
Acta Crystallographica Section C
54(9)
(1998)
1309-1312 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,229,979 | 9.2794 | 0.0006 | 10.3384 | 0.0008 | 12.8244 | 0.0008 | 90 | null | 100.744 | 0.006 | 90 | null | 1,208.73 | 0.15 | 294.6 | null | 294.6 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Pyridine-4-carbaldehyde 4-phenylsemicarbazone | - C13 H12 N4 O - | - C13 H12 N4 O - | - C52 H48 N16 O4 - | 4 | 1 | FY2007 | Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; Fernández-Zapico, Eva; García-Granda, Santiago | Pyridine-4-carbaldehyde 4-phenylsemicarbazone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1135 | 10.1107/S1600536811013134 | 1.5418 | CuKα | 0.0705 | 0.0519 | null | null | 0.1259 | 0.1432 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Mendoza-Meroño, Rafael; Menéndez-Taboada, Laura; Fernández-Zapico, Eva; García-Granda, Santiago
Pyridine-4-carbaldehyde 4-phenylsemicarbazone
Acta Crystallographica Section E
67(5)
(2011)
o1135 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229979.cif $
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2,007,632 | 20.074 | 0.002 | 6.488 | 0.003 | 7.18 | 0.004 | 90 | null | 96.68 | 0.02 | 90 | null | 928.8 | 0.7 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C11 H9 N O3 - | - C11 H9 N O3 - | - C44 H36 N4 O12 - | 4 | 1 | JZ1267 | Okabe, Nobuo; Adachi, Yukari | 2-Hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic Acid | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1330 | 1331 | 10.1107/S0108270198003175 | 0.71069 | MoKα | null | 0.059 | null | null | 0.12 | null | null | null | null | 1.66 | 1.66 | null | null | null | has coordinates | Okabe, Nobuo; Adachi, Yukari
2-Hydroxy-3-(1<i>H</i>-indol-3-yl)propenoic Acid
Acta Crystallographica Section C
54(9)
(1998)
1330-1331 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007632.cif $
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2,007,633 | 8.1023 | 0.0008 | 9.7724 | 0.001 | 5.5763 | 0.0008 | 90 | null | 121.9 | 0.08 | 90 | null | 374.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | caesium oxo-antimonate(III) | - Cs O2 Sb - | - Cs O2 Sb - | - Cs4 O8 Sb4 - | 4 | 0.5 | JZ1279 | Hirschle, Christian; Röhr, Caroline | Caesium Dioxoantimonate(III), CsSbO~2~ | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1219 | 1220 | 10.1107/S010827019800331X | 0.7107 | MoK~α~ | 0.039 | 0.0383 | null | null | null | 0.1072 | null | null | null | null | null | 1.135 | null | null | has coordinates,has Fobs | Hirschle, Christian; Röhr, Caroline
Caesium Dioxoantimonate(III), CsSbO~2~
Acta Crystallographica Section C
54(9)
(1998)
1219-1220 | 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/2/00/76/2007633.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,634 | 10.835 | 0.002 | 20.834 | 0.003 | 7.85 | 0.002 | 90 | null | 103 | 0.02 | 90 | null | 1,726.6 | 0.6 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1H-indole-1-carboxylic Acid 2,2,2-Trichloroethyl ester | - C15 H9 Cl5 N2 O3 - | - C15 H9 Cl5 N2 O3 - | - C60 H36 Cl20 N8 O12 - | 4 | 1 | JZ1281 | Radspieler, Alexander; Ziemer, Burkhard; Liebscher, Jürgen | Twisted Structure of a Substituted 2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1<i>H</i>-indole | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1351 | 1353 | 10.1107/S0108270198004351 | 0.71073 | MoKα | 0.035 | 0.0286 | null | 0.0775 | 0.075 | null | null | null | 1.033 | 1.094 | 1.094 | null | null | null | has coordinates | Radspieler, Alexander; Ziemer, Burkhard; Liebscher, Jürgen
Twisted Structure of a Substituted 2-Chloro-3-(4-chloro-2-methyl-1,3-oxazol-5-yl)-1<i>H</i>-indole
Acta Crystallographica Section C
54(9)
(1998)
1351-1353 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007634.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,635 | 10.8948 | 0.001 | 7.7476 | 0.001 | 13.2634 | 0.001 | 90 | null | 114.283 | 0.01 | 90 | null | 1,020.5 | 0.2 | 133 | null | 133 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H13 Br N2 Si - | - C6 H13 Br N2 Si - | - C24 H52 Br4 N8 Si4 - | 4 | 1 | JZ1282 | Hensen, Karl; Kettner, Markus; Bolte, Michael | <i>N</i>-Trimethylsilylimidazole Hydrobromide at 133K | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1312 | 1314 | 10.1107/S010827019800362X | 0.71073 | MoKα | 0.0527 | 0.0382 | null | 0.096 | 0.0891 | null | null | null | 1.057 | 1.095 | 1.095 | null | null | null | has coordinates | Hensen, Karl; Kettner, Markus; Bolte, Michael
<i>N</i>-Trimethylsilylimidazole Hydrobromide at 133K
Acta Crystallographica Section C
54(9)
(1998)
1312-1314 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,636 | 14.7592 | 0.0015 | 10.7763 | 0.0011 | 10.0983 | 0.0007 | 90 | null | 92.473 | 0.007 | 90 | null | 1,604.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Aqua(2-ethylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II) | - C16 H18 Cu N2 O4 - | - C16 H18 Cu N2 O4 - | - C64 H72 Cu4 N8 O16 - | 4 | 1 | JZ1284 | Warda, Salam A. | Aqua(2-ethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1236 | 1238 | 10.1107/S0108270198004673 | 0.71073 | MoKα | 0.0737 | 0.0426 | null | null | null | 0.095 | null | null | null | 0.968 | 0.968 | null | null | null | has coordinates | Warda, Salam A.
Aqua(2-ethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
54(9)
(1998)
1236-1238 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007636.cif $
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2,007,637 | 9.847 | 0.003 | 10.242 | 0.003 | 10.866 | 0.003 | 90 | null | 101.4 | 0.04 | 90 | null | 1,074.2 | 0.6 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 3,6'-dimethoxy-1',2'α,3'β,4'-tetrahydroquinolino[3',2':16,17]estra-1,3,5(10)- triene | - C27 H33 N O2 - | - C27 H33 N O2 - | - C54 H66 N2 O4 - | 2 | 1 | KA1260 | Bes, M. Teresa; Usón, Isabel; Pelikán, Szilvia; Tietze, Lutz F.; Frank, Éva; Schneider, Gyula | A Hexacyclic Estrone Derivative | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1341 | 1343 | 10.1107/S0108270198002881 | 0.71073 | MoKα | 0.037 | 0.036 | null | 0.102 | 0.101 | null | null | null | 1.016 | 1.015 | 1.015 | null | null | null | has coordinates | Bes, M. Teresa; Usón, Isabel; Pelikán, Szilvia; Tietze, Lutz F.; Frank, Éva; Schneider, Gyula
A Hexacyclic Estrone Derivative
Acta Crystallographica Section C
54(9)
(1998)
1341-1343 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007637.cif $
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2,007,638 | 9.147 | 0.002 | 13.36 | 0.002 | 9.379 | 0.002 | 90 | null | 113.83 | 0.02 | 90 | null | 1,048.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Di(perchlorato-O)- [(5RS,6RS,12SR,13SR)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^N]copper(II) | - C14 H32 Cl2 Cu N4 O8 - | - C14 H26 Cl2 Cu N4 O8 - | - C28 H52 Cl4 Cu2 N8 O16 - | 2 | 0.5 | KA1262 | Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Huang, Chin-Sun; Chung, Chung-Sun; Tung, Shu-Fang | Two Conformational (Configurational) Isomers of Diperchlorato[(5<i>RS</i>,6<i>RS</i>,12<i>SR</i>,13<i>SR</i>)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1240 | 1242 | 10.1107/S0108270198003710 | 0.71073 | MoKα | 0.102 | 0.051 | null | 0.13 | 0.118 | null | null | null | 0.99 | 1.167 | 1.167 | null | null | null | has coordinates | Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Huang, Chin-Sun; Chung, Chung-Sun; Tung, Shu-Fang
Two Conformational (Configurational) Isomers of Diperchlorato[(5<i>RS</i>,6<i>RS</i>,12<i>SR</i>,13<i>SR</i>)-5,6,12,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]copper(II)
Acta Crystallographica Section C
54... | 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/2/00/76/2007638.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,060 | 9.4999 | 0.0015 | 11.9323 | 0.0019 | 15.247 | 0.003 | 88.658 | 0.003 | 76.925 | 0.003 | 89.38 | 0.003 | 1,683 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol | - C38 H48 N O P - | - C38 H48 N O P - | - C76 H96 N2 O2 P2 - | 2 | 1 | FN3077 | Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook | Multiple intramolecular hydrogen bonds in 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)-<i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol | Acta Crystallographica Section C | 2,011 | 67 | 5 | o151 | o153 | 10.1107/S0108270111009267 | 0.71073 | MoKα | 0.1221 | 0.053 | null | null | 0.1272 | 0.1598 | null | null | null | null | null | 1.018 | null | null | has coordinates,has disorder | Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook
Multiple intramolecular hydrogen bonds in 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)-<i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol
Acta Crystallographica Section C
67(5)
(2011)
o151-o153 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018060.cif $
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2,007,639 | 9.291 | 0.001 | 7.957 | 0.002 | 8.093 | 0.002 | 90 | null | 103.11 | 0.01 | 90 | null | 582.7 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,4 diaminobutane tetrabromopalladate | - C4 H14 Br4 N2 Pd - | - C4 H14 Br4 N2 Pd - | - C8 H28 Br8 N4 Pd2 - | 2 | 0.5 | LN1029 | Zouari, Rhida; Leger, Jean Michel; Maris,Thierry; Chanh, N. B. | 1,4-Butanediammonium Tetrabromopalladate(II) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1253 | 1255 | 10.1107/S0108270198003473 | 0.71073 | MoKα | 0.039 | 0.025 | null | null | null | 0.074 | null | null | null | null | null | 1.223 | null | null | has coordinates | Zouari, Rhida; Leger, Jean Michel; Maris,Thierry; Chanh, N. B.
1,4-Butanediammonium Tetrabromopalladate(II)
Acta Crystallographica Section C
54(9)
(1998)
1253-1255 | 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/2/00/76/2007639.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,640 | 16.9681 | 0.001 | 16.9681 | 0.001 | 6.5473 | 0.0006 | 90 | null | 90 | null | 120 | null | 1,632.5 | 0.2 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 65 | P 65 | 170 | (2S,3R,5S)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone Diethyl Ether Solvate | - C10.48 H17.2 O2.12 - | - C10 H16 O2 - | - C60 H96 O12 - | 6 | 1 | LN1051 | Lutz, Martin; Spek, Anthony L. | (2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1293 | 1295 | 10.1107/S0108270198003783 | 0.71073 | MoKα | 0.0328 | 0.0301 | null | null | null | 0.0836 | null | null | null | null | null | 1.051 | null | null | has coordinates | Lutz, Martin; Spek, Anthony L.
(2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate
Acta Crystallographica Section C
54(9)
(1998)
1293-1295 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007640.cif $
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2,007,641 | 16.599 | 0.002 | 13.957 | 0.002 | 18.105 | 0.003 | 90 | null | 95.929 | 0.012 | 90 | null | 4,172 | 1 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | I 1 2/a 1 | -I 2ya | 15 | 2-methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)-one | - C24 H22 N3 O2 P - | - C24 H22 N3 O2 P - | - C192 H176 N24 O16 P8 - | 8 | 1 | LN1053 | Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio | 2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1355 | 1357 | 10.1107/S0108270198003795 | 0.7107 | MolybdenumKα | 0.1092 | 0.0392 | null | 0.1128 | 0.1007 | null | null | null | 0.964 | 1.207 | 1.207 | null | null | null | has coordinates | Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio
2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one
Acta Crystallographica Section C
54(9)
(1998)
1355... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007641.cif $
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2,018,059 | 6.7195 | 0.0005 | 7.1118 | 0.0004 | 19.2802 | 0.0012 | 80.061 | 0.005 | 81.798 | 0.006 | 83.04 | 0.006 | 893.83 | 0.1 | 140 | 2 | 140 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | sodium bis(6-carboxy-1-hydroxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium | - C16 H15 B2 Na O13 - | - C16 H15 B2 Na O13 - | - C32 H30 B4 Na2 O26 - | 2 | 1 | FN3076 | Simmons, Scott; Fratini, Albert; Benin, Vladimir | A sodium salt of the dimer of boronoterephthalic acid anhydride | Acta Crystallographica Section C | 2,011 | 67 | 5 | m123 | m125 | 10.1107/S0108270111008195 | 1.54178 | CuKα | 0.0597 | 0.0456 | null | null | 0.1035 | 0.1114 | null | null | null | null | null | 1.06 | null | null | has coordinates,has Fobs | Simmons, Scott; Fratini, Albert; Benin, Vladimir
A sodium salt of the dimer of boronoterephthalic acid anhydride
Acta Crystallographica Section C
67(5)
(2011)
m123-m125 | 301,798 | 2025-08-19 | 6:44:10 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,007,642 | 8.666 | 0.002 | 10.985 | 0.003 | 12.373 | 0.003 | 79.291 | 0.012 | 75.62 | 0.02 | 70.693 | 0.014 | 1,069.8 | 0.5 | 150 | 1 | 150 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 2-methylthio-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)- one | - C24 H22 N3 O P S - | - C24 H22 N3 O P S - | - C48 H44 N6 O2 P2 S2 - | 2 | 1 | LN1053 | Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio | 2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1355 | 1357 | 10.1107/S0108270198003795 | 0.7107 | MolybdenumKα | 0.0679 | 0.0647 | null | 0.1641 | 0.1617 | null | null | null | 1.084 | 1.132 | 1.132 | null | null | null | has coordinates | Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio
2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one
Acta Crystallographica Section C
54(9)
(1998)
1355... | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007642.cif $
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2,007,643 | 8.0862 | 0.0019 | 12.576 | 0.004 | 8.186 | 0.002 | 90 | null | 98.441 | 0.019 | 90 | null | 823.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C2 H9 B Cu F4 N2 O2 - | - C2 H9 B Cu F4 N2 O2 - | - C8 H36 B4 Cu4 F16 N8 O8 - | 4 | 1 | MU1344 | Cronin, Leroy; Harper, Miriam, C; Walton, Paul H.; Lindsay, Chris | <i>catena</i>-Poly[diamminecopper(II)-μ-acetato-<i>O</i>:<i>O</i>'] Tetrafluoroborate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1255 | 1257 | 10.1107/S0108270198004594 | 0.71069 | MoKα | 0.0454 | 0.0383 | null | null | null | 0.1055 | null | null | null | null | null | 1.053 | null | null | has coordinates | Cronin, Leroy; Harper, Miriam, C; Walton, Paul H.; Lindsay, Chris
<i>catena</i>-Poly[diamminecopper(II)-μ-acetato-<i>O</i>:<i>O</i>'] Tetrafluoroborate
Acta Crystallographica Section C
54(9)
(1998)
1255-1257 | 249,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-27 12:18:32 +0200 (Fri, 27 Mar 2020) $
#$Revision: 249787 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007643.cif $
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2,007,644 | 10.802 | 0.003 | 12.896 | 0.008 | 14.936 | 0.006 | 90 | null | 90 | null | 90 | null | 2,080.6 | 1.6 | 296 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H27 N O2 - | - C23 H27 N O2 - | - C92 H108 N4 O8 - | 4 | 1 | NA1240 | Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni | Enantiopure δ-Hydroxy-β-enamino Ketones | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1306 | 1309 | 10.1107/S0108270196011985 | 0.71069 | MoKα | 0.09 | 0.058 | null | 0.152 | 0.086 | null | null | null | null | 1.178 | 1.178 | null | null | null | has coordinates | Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni
Enantiopure δ-Hydroxy-β-enamino Ketones
Acta Crystallographica Section C
54(9)
(1998)
1306-1309 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007644.cif $
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2,007,645 | 27.132 | 0.005 | 27.132 | 0.005 | 8.29 | 0.004 | 90 | null | 90 | null | 120 | null | 5,285 | 3 | 296 | null | null | null | null | null | null | null | 4 | R 3 :H | R 3 | 146 | - C24 H33 N O3 - | - C24 H30 N O3 - | - C216 H270 N9 O27 - | 9 | 1 | NA1240 | Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni | Enantiopure δ-Hydroxy-β-enamino Ketones | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1306 | 1309 | 10.1107/S0108270196011985 | 1.5418 | CuKα | 0.06 | 0.055 | null | 0.084 | 0.074 | null | null | null | null | 0.997 | 0.997 | null | null | null | has coordinates | Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni
Enantiopure δ-Hydroxy-β-enamino Ketones
Acta Crystallographica Section C
54(9)
(1998)
1306-1309 | 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/2/00/76/2007645.cif $
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2,229,978 | 9.947 | 0.0009 | 13.9419 | 0.0013 | 16.1187 | 0.0011 | 72.681 | 0.007 | 89.487 | 0.007 | 73.173 | 0.008 | 2,035.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | (<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5- trimethoxyphenyl)prop-2-en-1-one | - C23 H24 O6 - | - C23 H24 O6 - | - C92 H96 O24 - | 4 | 2 | FL2342 | Wang, Guang-cheng; Yang, Ying-hong | (<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1265 | 10.1107/S1600536811015236 | 0.7107 | MoKα | 0.1013 | 0.0568 | null | null | 0.1243 | 0.1479 | null | null | null | null | null | 1.014 | null | null | has coordinates,has Fobs | Wang, Guang-cheng; Yang, Ying-hong
(<i>E</i>)-1-(5-Hydroxy-2,2-dimethyl-2<i>H</i>-chromen-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Acta Crystallographica Section E
67(5)
(2011)
o1265 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229978.cif $
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2,007,646 | 13.148 | 0.005 | 5.834 | 0.001 | 6.501 | 0.002 | 90 | null | 90 | null | 90 | null | 498.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P m n 21 | P 2ac -2 | 31 | bis(thiourea)cadmium chloride | Bis(thiourea)cadmium Chloride | - C2 H8 Cd Cl2 N4 S2 - | - C2 H8 Cd Cl2 N4 S2 - | - C4 H16 Cd2 Cl4 N8 S4 - | 2 | 0.5 | NA1330 | Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda | Bis(thiourea)cadmium Halides | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1225 | 1229 | 10.1107/S0108270198004314 | 0.71073 | MoKα | 0.0258 | 0.0177 | null | 0.0428 | 0.0397 | null | null | null | 1.053 | 1.008 | 1.008 | null | null | null | has coordinates | Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda
Bis(thiourea)cadmium Halides
Acta Crystallographica Section C
54(9)
(1998)
1225-1229 | 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/2/00/76/2007646.cif $
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2,007,647 | 13.052 | 0.018 | 5.9892 | 0.0019 | 13.542 | 0.003 | 90 | null | 90 | null | 90 | null | 1,058.6 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P n a m | -P 2c 2n | 62 | bis(thiourea)cadmium chloride | Bis(thiourea)cadmium bromide | - C2 H8 Br2 Cd N4 S2 - | - C2 H8 Br2 Cd N4 S2 - | - C8 H32 Br8 Cd4 N16 S8 - | 4 | 0.5 | NA1330 | Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda | Bis(thiourea)cadmium Halides | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1225 | 1229 | 10.1107/S0108270198004314 | 0.71073 | MoKα | 0.132 | 0.0553 | null | null | null | 0.191 | null | null | null | null | null | 1.095 | null | null | has coordinates | Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda
Bis(thiourea)cadmium Halides
Acta Crystallographica Section C
54(9)
(1998)
1225-1229 | 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/2/00/76/2007647.cif $
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2,007,648 | 10.481 | 0.002 | 7.64 | 0.002 | 15.133 | 0.004 | 90 | null | 91 | 0.02 | 90 | null | 1,211.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | bis(thiourea)cadmium iodide | Bis(thiourea)cadmium Iodide | - C2 H8 Cd I2 N4 S2 - | - C2 H8 Cd I2 N4 S2 - | - C8 H32 Cd4 I8 N16 S8 - | 4 | 1 | NA1330 | Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda | Bis(thiourea)cadmium Halides | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1225 | 1229 | 10.1107/S0108270198004314 | 0.71073 | MoKα | 0.117 | 0.0505 | null | null | null | 0.1413 | null | null | null | null | null | 1.099 | null | null | has coordinates | Celia Marcos; José M. Alía; Victor Adovasio; Manuel Prieto; Santiago García-Granda
Bis(thiourea)cadmium Halides
Acta Crystallographica Section C
54(9)
(1998)
1225-1229 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,007,649 | 9.378 | 0.002 | 20.241 | 0.004 | 12.848 | 0.003 | 90 | null | 99.31 | 0.03 | 90 | null | 2,406.7 | 0.9 | 150 | 0.1 | 150 | 0.1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | [Bis((O, μ-O'methyllactato)-dioxovanadate(V))-bis(tetrabuthylammonium)] dihydrate] | - C40 H88 N2 O12 V2 - | - C40 H88 N2 O12 V2 - | - C80 H176 N4 O24 V4 - | 2 | 0.5 | NA1343 | Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter | Bis(tetra-<i>n</i>-butylammonium) Bis[(methyllactato)dioxovanadate(V)] Dihydrate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1249 | 1251 | 10.1107/S0108270198003424 | 0.71073 | MoKα | 0.062 | 0.046 | null | 0.133 | 0.12 | null | null | null | 1 | 1.015 | 1.015 | null | null | null | has coordinates | Smatanová, Ivana; Marek, Jaromír; Švančárek, Peter; Schwendt, Peter
Bis(tetra-<i>n</i>-butylammonium) Bis[(methyllactato)dioxovanadate(V)] Dihydrate
Acta Crystallographica Section C
54(9)
(1998)
1249-1251 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007649.cif $
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2,229,977 | 4.82 | 0.002 | 11.445 | 0.003 | 14.242 | 0.004 | 90 | null | 98.1 | 0.03 | 90 | null | 777.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | <i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)succinamide | - C16 H14 Cl2 N2 O2 - | - C16 H14 Cl2 N2 O2 - | - C32 H28 Cl4 N4 O4 - | 2 | 0.5 | FL2341 | Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme | <i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)succinamide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1139 | 10.1107/S1600536811013407 | 0.71073 | MoKα | 0.1449 | 0.0752 | null | null | 0.1186 | 0.1388 | null | null | null | null | null | 1.163 | null | null | has coordinates,has Fobs | Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme
<i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)succinamide
Acta Crystallographica Section E
67(5)
(2011)
o1139 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229977.cif $
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2,007,650 | 16.912 | 0.001 | 18.188 | 0.001 | 17.872 | 0.001 | 90 | null | 91.009 | 0.004 | 90 | null | 5,496.5 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) | - C27 H29 Ce N2 O6 - | - C27 H11 Ce N2 O6 - | - C216 H88 Ce8 N16 O48 - | 8 | 2 | NA1347 | Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C. | Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1233 | 1236 | 10.1107/S0108270198003898 | 0.71073 | MoKα | 0.105 | 0.053 | null | 0.046 | 0.043 | null | null | null | 1.49 | 1.835 | 1.835 | null | null | null | has coordinates | Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C.
Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)
Acta Crystallographica Section C
54(9)
(1998)
1233-1236 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007650.cif $
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2,007,651 | 9.515 | 0.001 | 21.086 | 0.009 | 14.978 | 0.002 | 90 | null | 99.39 | 0.01 | 90 | null | 2,964.8 | 1.4 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III) | - C27 H29 N2 O6 Pr - | - C27 H11 N2 O6 Pr - | - C108 H44 N8 O24 Pr4 - | 4 | 1 | NA1347 | Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C. | Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III) | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1233 | 1236 | 10.1107/S0108270198003898 | 0.71073 | MoKα | 0.068 | 0.043 | null | 0.051 | 0.045 | null | null | null | 0.912 | 0.972 | 0.972 | null | null | null | has coordinates | Christidis, Panayiotis C.; Tossidis, Ioannis A.; Paschalidis, Damianos G.; Tzavellas, Leandros C.
Tris(acetylacetonato)(1,10-phenanthroline)cerium(III) and Tris(acetylacetonato)(1,10-phenanthroline)praseodymium(III)
Acta Crystallographica Section C
54(9)
(1998)
1233-1236 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007651.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,652 | 10.032 | 0.002 | 10.787 | 0.003 | 22.947 | 0.004 | 90 | null | 90 | null | 90 | null | 2,483.2 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 3S,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one | - C27 H24 N2 O6 S - | - C27 H24 N2 O6 S - | - C108 H96 N8 O24 S4 - | 4 | 1 | NA1356 | Alessandra Forni | Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1320 | 1322 | 10.1107/S0108270198003436 | 0.71073 | MoKα | 0.053 | 0.035 | null | 0.07 | 0.066 | null | null | null | 0.896 | 0.991 | 0.991 | null | null | null | has coordinates | Alessandra Forni
Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate
Acta Crystallographica Section C
54(9)
(1998)
1320-1322 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007652.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,976 | 7.8248 | 0.0006 | 8.8187 | 0.0007 | 8.2932 | 0.0006 | 90 | null | 95.5708 | 0.0018 | 90 | null | 569.57 | 0.08 | 110 | null | 110 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato] | - C2 H3 B F4 Li N - | - C2 H3 B F4 Li N - | - C8 H12 B4 F16 Li4 N4 - | 4 | 1 | FJ2410 | Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A. | Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m547 | 10.1107/S1600536811012141 | 0.71073 | MoKα | 0.0641 | 0.045 | null | null | 0.1079 | 0.1177 | null | null | null | null | null | 1.052 | null | null | has coordinates,has Fobs | Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.
Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato]
Acta Crystallographica Section E
67(5)
(2011)
m547 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229976.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,653 | 6.237 | 0.001 | 18.928 | 0.002 | 21.321 | 0.003 | 90 | null | 90 | null | 90 | null | 2,517 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (3R,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one | - C27 H24 N2 O6 S - | - C27 H24 N2 O6 S - | - C108 H96 N8 O24 S4 - | 4 | 1 | NA1356 | Alessandra Forni | Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1320 | 1322 | 10.1107/S0108270198003436 | 0.71073 | MoKα | 0.101 | 0.052 | null | 0.099 | 0.083 | null | null | null | 1.013 | 1.089 | 1.089 | null | null | null | has coordinates | Alessandra Forni
Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate
Acta Crystallographica Section C
54(9)
(1998)
1320-1322 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007653.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,654 | 9.041 | 0.001 | 11.242 | 0.001 | 11.637 | 0.001 | 65.482 | 0.005 | 66.853 | 0.005 | 73.376 | 0.005 | 978.75 | 0.17 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C28 H60 N12 O6 P4 - | - C28 H60 N12 O6 P4 - | - C28 H60 N12 O6 P4 - | 1 | 0.5 | NA1358 | Hökelek, Tuncer; Kılıç, Emïne; Kılıç, Zeynel | <i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexamorpholinocyclo-2λ^5^, 4λ^5^, 6λ^5^, 8λ^5^-tetraphosphazatetraene | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1295 | 1297 | 10.1107/S0108270198004260 | 0.71073 | MoKα | null | 0.073 | null | null | 0.084 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Hökelek, Tuncer; Kılıç, Emïne; Kılıç, Zeynel
<i>trans</i>-2,6-Bis(ethylamino)-2,4,4,6,8,8-hexamorpholinocyclo-2λ^5^, 4λ^5^, 6λ^5^, 8λ^5^-tetraphosphazatetraene
Acta Crystallographica Section C
54(9)
(1998)
1295-1297 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007654.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,655 | 7.537 | 0.001 | 16.928 | 0.001 | 10.292 | 0.001 | 90 | null | 106.044 | 0.005 | 90 | null | 1,262 | 0.2 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H13 N O S2 - | - C14 H13 N O S2 - | - C56 H52 N4 O4 S8 - | 4 | 1 | NA1362 | Hökelek, Tuncer; Gündüz, Hüseyin; Patır, Süleyman; Nesimi Uludağ | Spiro[carbazole-1(2<i>H</i>),2'-[1,3]dithiolan]-4(3<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1297 | 1299 | 10.1107/S0108270198005083 | 0.71073 | MoKα | null | 0.04 | null | null | 0.046 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Hökelek, Tuncer; Gündüz, Hüseyin; Patır, Süleyman; Nesimi Uludağ
Spiro[carbazole-1(2<i>H</i>),2'-[1,3]dithiolan]-4(3<i>H</i>)-one
Acta Crystallographica Section C
54(9)
(1998)
1297-1299 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007655.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,656 | 5.4313 | 0.0005 | 45.18 | 0.003 | 5.0355 | 0.0005 | 92.924 | 0.006 | 92.317 | 0.008 | 92.088 | 0.006 | 1,232.11 | 0.19 | 293.2 | null | 293.2 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C24 H42 N2 O3 - | - C24 H42 N2 O3 - | - C48 H84 N4 O6 - | 2 | 1 | OA1032 | Amai, Makoto; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa; Nakagaki, Masayuki | 1:1 Complex of Octadecanoic Acid and 3-Pyridinecarboxamide | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1367 | 1369 | 10.1107/S0108270197019227 | 1.5418 | CuKα | 0.064 | 0.042 | null | 0.056 | 0.053 | null | null | null | 2.427 | 2.428 | 2.428 | null | null | null | has coordinates | Amai, Makoto; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa; Nakagaki, Masayuki
1:1 Complex of Octadecanoic Acid and 3-Pyridinecarboxamide
Acta Crystallographica Section C
54(9)
(1998)
1367-1369 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007656.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,657 | 26.965 | 0.006 | 26.965 | 0.006 | 10.933 | 0.002 | 90 | null | 90 | null | 120 | null | 6,884 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | R -3 :H | -R 3 | 148 | 4-(p-hydroxyphenyl)-2,2,4-trimethylchroman | 4-(2,2,4-trimethylchroman-4-yl)phenol | - C18 H20 O2 - | - C18 H20 O2 - | - C324 H360 O36 - | 18 | 1 | OA1044 | Imashiro, Fumio; Yoshimura, Motohide; Fujiwara, Takaji | `Guest-Free' Dianin's Compound | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1357 | 1360 | 10.1107/S010827019800451X | 1.5405 | CuKα | 0.049 | 0.037 | null | 0.101 | 0.092 | null | null | null | 1.038 | 1.059 | 1.059 | null | null | null | has coordinates | Imashiro, Fumio; Yoshimura, Motohide; Fujiwara, Takaji
`Guest-Free' Dianin's Compound
Acta Crystallographica Section C
54(9)
(1998)
1357-1360 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007657.cif $
#-------------------------------------------------------------------... | |||||||||
2,229,975 | 12.599 | 0.004 | 15.28 | 0.004 | 11.233 | 0.003 | 90 | null | 91.936 | 0.004 | 90 | null | 2,161.3 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | <i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'- bis(benzimidazol-1-yl)biphenyl] | - C26 H18 Cl2 Cu N4 - | - C26 H18 Cl2 Cu N4 - | - C104 H72 Cl8 Cu4 N16 - | 4 | 0.5 | FJ2406 | Xiao, Dan-Ni; Pan, Hong-Yan; Yao, Min; Xie, Gang | <i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'-bis(benzimidazol-1-yl)biphenyl] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m521 | 10.1107/S1600536811011421 | 0.71073 | MoKα | 0.0292 | 0.0264 | null | null | 0.0647 | 0.0663 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Xiao, Dan-Ni; Pan, Hong-Yan; Yao, Min; Xie, Gang
<i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'-bis(benzimidazol-1-yl)biphenyl]
Acta Crystallographica Section E
67(5)
(2011)
m521 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229975.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,658 | 23.138 | 0.005 | 11.22 | 0.002 | 6.882 | 0.001 | 90 | null | 93.94 | 0.02 | 90 | null | 1,782.4 | 0.6 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C22 H18 N2 O2 - | - C22 H18 N2 O2 - | - C88 H72 N8 O8 - | 4 | 1 | OA1045 | Hajime Irikawa; Kinya Iijima | 2,6-Dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5(2<i>H</i>,6<i>H</i>)-dione | Acta Crystallographica Section C | 1,998 | 54 | 9 | 1318 | 1320 | 10.1107/S0108270198003333 | 0.71073 | MoK~α~ | null | 0.0669 | null | null | null | 0.0694 | null | null | null | null | null | 1.041 | null | null | has coordinates,has Fobs | Hajime Irikawa; Kinya Iijima
2,6-Dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5(2<i>H</i>,6<i>H</i>)-dione
Acta Crystallographica Section C
54(9)
(1998)
1318-1320 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/76/2007658.cif $
#-------------------------------------------------------------------... |