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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,340 | 14.58 | 0.002 | 18.5345 | 0.001 | 6.4477 | 0.0001 | 90 | null | 90 | null | 90 | null | 1,742.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (5,2'-dithien-2-yl)-2'-deoxyuridine | - C17 H16 N2 O5 S2 - | - C17 H16 N2 O5 S2 - | - C68 H64 N8 O20 S8 - | 4 | 1 | SX1017 | Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P. | <i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine | Acta Crystallographica Section C | 1,997 | 53 | 7 | 892 | 895 | 10.1107/S0108270197002813 | 1.5418 | CuKα | 0.048 | 0.0461 | null | 0.116 | 0.1135 | null | null | null | 1.065 | 1.077 | 1.077 | null | null | null | has coordinates,has disorder | Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P.
<i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine
Acta Crystallographica Section C
53(7)
(1997)
892-895 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,341 | 8.698 | 0.003 | 5.819 | 0.003 | 10.032 | 0.003 | 90 | null | 107.48 | 0.03 | 90 | null | 484.3 | 0.3 | 150 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (+)-α-methyl-4-carboxyphenylglycine | - C10 H11 N O4 - | - C10 H11 N O4 - | - C20 H22 N2 O8 - | 2 | 1 | SX1018 | Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C. | Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist | Acta Crystallographica Section C | 1,997 | 53 | 7 | 909 | 911 | 10.1107/S0108270197003223 | 1.54178 | CuKα | 0.0502 | 0.0346 | null | 0.1397 | 0.0881 | null | null | null | 1.065 | 1.001 | 1.001 | null | null | null | has coordinates | Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C.
Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist
Acta Crystallographica Section C
53(7)
(1997)
909-911 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,342 | 8.9803 | 0.0008 | 16.3083 | 0.001 | 9.2752 | 0.0007 | 90 | null | 93.541 | 0.007 | 90 | null | 1,355.79 | 0.18 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (6Z,8Z)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione | - C14 H16 N2 O3 - | - C14 H16 N2 O3 - | - C56 H64 N8 O12 - | 4 | 1 | SX1020 | Prakash, Gautam; Fettinger, James C.; Falvey, Daniel E. | (6<i>Z</i>,8<i>Z</i>)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione | Acta Crystallographica Section C | 1,997 | 53 | 7 | 979 | 981 | 10.1107/S0108270197002850 | 0.71073 | MoKα | 0.0597 | 0.0422 | null | 0.1083 | 0.0967 | null | null | null | 1.038 | 1.066 | 1.066 | null | null | null | has coordinates | Prakash, Gautam; Fettinger, James C.; Falvey, Daniel E.
(6<i>Z</i>,8<i>Z</i>)-2,4,6-Trimethyl-8-phenyl-7-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
Acta Crystallographica Section C
53(7)
(1997)
979-981 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,502 | 6.4932 | 0.0002 | 25.459 | 0.0007 | 12.3876 | 0.0004 | 90 | null | 102.543 | 0.001 | 90 | null | 1,998.92 | 0.11 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 3-Fluoro-1-hydroxyacetone phosphate, bis-cyclohexylammonum salt, monohydrate | - C15 H36 F N2 O7 P - | - C15 H36 F N2 O7 P - | - C60 H144 F4 N8 O28 P4 - | 4 | 1 | Michael Fischer; Hanspeter Kahlig; Walther Schmid | Gram scale synthesis of 3-fluoro-1-hydroxyacetone phosphate: a novel donor substrate in rabbit muscle aldolase-catalyzed aldol reactions | Chem.Commun. | 2,011 | 47 | 6647 | 10.1039/c1cc11579k | 0.71073 | MoKα | 0.042 | 0.033 | null | null | 0.0859 | 0.0918 | null | null | null | null | null | 1.021 | null | null | has coordinates | Michael Fischer; Hanspeter Kahlig; Walther Schmid
Gram scale synthesis of 3-fluoro-1-hydroxyacetone phosphate: a novel donor substrate in rabbit muscle aldolase-catalyzed aldol reactions
Chem.Commun.
47
(2011)
6647 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
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2,006,343 | 13.133 | 0.004 | 18.932 | 0.006 | 14.646 | 0.009 | 90 | null | 95.7 | 0.03 | 90 | null | 3,623 | 3 | 298 | null | 298 | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C20 H38 Mo5 N4 O23 P2 - | - C20 H34 Mo5 N4 O23 P2 - | - C80 H136 Mo20 N16 O92 P8 - | 4 | 1 | TA1124 | Harrison, William T. A.; Dussack, Laurie L.; Jacobson, Allan J. | Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 7 | 856 | 859 | 10.1107/S0108270197002989 | 0.71073 | MoKα | 0.022 | 0.022 | null | 0.035 | 0.035 | null | null | null | null | 1.84 | 1.84 | null | null | null | has coordinates,has Fobs | Harrison, William T. A.; Dussack, Laurie L.; Jacobson, Allan J.
Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate
Acta Crystallographica Section C
53(7)
(1997)
856-859 | 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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2,006,344 | 13.214 | 0.003 | 16.145 | 0.002 | 44.872 | 0.002 | 90 | null | 91.039 | 0.009 | 90 | null | 9,571 | 3 | 213 | 1 | 213 | 1 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C92 H162 Co2 N4 O9 - | - C92 H162 Co2 N4 O9 - | - C368 H648 Co8 N16 O36 - | 4 | 0.5 | TA1127 | Robert W. Corkery; David C.R. Hockless | A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid | Acta Crystallographica Section C | 1,997 | 53 | 7 | 840 | 843 | 10.1107/S010827019700259X | 1.5418 | CuKα | null | 0.051 | null | null | 0.0607 | null | null | null | null | 2.306 | 2.306 | null | null | null | has coordinates | Robert W. Corkery; David C.R. Hockless
A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid
Acta Crystallographica Section C
53(7)
(1997)
840-843 | 208,362 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 06:45:12 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208362 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006344.cif $
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2,006,345 | 7.5893 | 0.0004 | 7.9361 | 0.0005 | 12.793 | 0.0007 | 104.427 | 0.004 | 95.662 | 0.004 | 90.264 | 0.004 | 742.24 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Strontiumnitratoacetate-Hemitrihydrate | - C2 H6 N O6.5 Sr - | - C2 H6 N O6.5 Sr - | - C8 H24 N4 O26 Sr4 - | 4 | 2 | TA1134 | Lengauer, Christian L.; Giester, Gerald | Strontium Acetate Nitrate Trihydrate, [Sr~2~(CH~3~COO)~2~(NO~3~)~2~(H~2~O)~3~] | Acta Crystallographica Section C | 1,997 | 53 | 7 | 870 | 872 | 10.1107/S0108270197002990 | 0.71073 | MoKα | 0.0484 | 0.0274 | null | 0.061 | 0.0563 | null | null | null | 1.043 | 1.113 | 1.113 | null | null | null | has coordinates | Lengauer, Christian L.; Giester, Gerald
Strontium Acetate Nitrate Trihydrate, [Sr~2~(CH~3~COO)~2~(NO~3~)~2~(H~2~O)~3~]
Acta Crystallographica Section C
53(7)
(1997)
870-872 | 223,448 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-11-07 12:44:57 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223448 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/63/2006345.cif $
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2,006,346 | 14.674 | 0.006 | 16.365 | 0.008 | 15.233 | 0.006 | 90 | null | 111.39 | 0.03 | 90 | null | 3,406 | 3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H23 Cl2 N Ru - | - C17 H23 Cl2 N Ru - | - C136 H184 Cl16 N8 Ru8 - | 8 | 2 | TA1142 | Andrew J. Steedman; Anthony K. Burrell | Dichloro(η^6^-hexamethylbenzene)(pyridine-<i>N</i>)ruthenium | Acta Crystallographica Section C | 1,997 | 53 | 7 | 864 | 866 | 10.1107/S0108270197003004 | 0.71073 | MoKα | 0.0631 | 0.0327 | null | 0.0949 | 0.0832 | null | null | null | 1.049 | 1.086 | 1.086 | null | null | null | has coordinates | Andrew J. Steedman; Anthony K. Burrell
Dichloro(η^6^-hexamethylbenzene)(pyridine-<i>N</i>)ruthenium
Acta Crystallographica Section C
53(7)
(1997)
864-866 | 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/2/00/63/2006346.cif $
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7,106,501 | 8.345 | 0.004 | 10.533 | 0.005 | 16.28 | 0.008 | 102.425 | 0.013 | 93.061 | 0.015 | 93.425 | 0.013 | 1,391.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C56 H48 N6 O22 S4 - | - C56 H48 N6 O22 S4 - | - C56 H48 N6 O22 S4 - | 1 | 0.5 | Goutam Mahata; Sandipan Roy; Kumar Biradh | Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine. | Chem.Commun. | 2,011 | 47 | 6614 | 10.1039/c1cc11481f | 0.71073 | MoKα | 0.1174 | 0.0778 | null | null | 0.1982 | 0.2308 | null | null | null | null | null | 1.379 | null | null | has coordinates | Goutam Mahata; Sandipan Roy; Kumar Biradh
Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine.
Chem.Commun.
47
(2011)
6614 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
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2,006,347 | 14.074 | 0.002 | 15.738 | 0.002 | 13.588 | 0.002 | 96.82 | 0.01 | 100.61 | 0.01 | 74.63 | 0.01 | 2,844.7 | 0.7 | 294 | null | 294 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | (4RS,1'RS)-methyl 1-phenyl-2-piperidinoethyl 1,4-dihydro-2,6-dimethyl-4-(2- thienyl)pyridine-3,5-dicarboxylate methanol solvate | - C28.5 H38 N2 O5.5 S - | - C27.5 H27 Hc9 Hn N2 O5.5 S2 - | - C110 H108 Hc36 Hn4 N8 O22 S8 - | 4 | 2 | VJ1043 | Marubayashi, Nobuhiro; Mishina, Tadashi; Hamasaki, Toshio; Hirayama, Noriaki | (4<i>RS</i>,1'<i>RS</i>)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C~27~H~32~N~2~O~4~S.1.5CH~4~O | Acta Crystallographica Section C | 1,997 | 53 | 7 | 913 | 915 | 10.1107/S0108270197000528 | 1.54184 | Cu-Kα | 0.056 | 0.049 | null | null | 0.07 | null | null | null | null | 1.884 | 1.884 | null | null | null | has coordinates | Marubayashi, Nobuhiro; Mishina, Tadashi; Hamasaki, Toshio; Hirayama, Noriaki
(4<i>RS</i>,1'<i>RS</i>)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C~27~H~32~N~2~O~4~S.1.5CH~4~O
Acta Crystallographica Section C
53(7)
(1997)
913-915 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,006,348 | 5.911 | 0.004 | 7.474 | 0.003 | 16.366 | 0.003 | 100.55 | 0.03 | 91.9 | 0.03 | 91.62 | 0.04 | 710 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-[2-(napthylenyl)]-3-(4-chlorophenyl)-2-propen-1-one | - C19 H13 Cl O - | - C19 H13 Cl O - | - C38 H26 Cl2 O2 - | 2 | 1 | VJ1049 | S.Shanmuga Sundara Raj; M.N.Ponnuswamy; G.Shanmugam; S.Nanjundan | 3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone | Acta Crystallographica Section C | 1,997 | 53 | 7 | 917 | 918 | 10.1107/S0108270197000668 | 1.5418 | CuKα | 0.0619 | 0.0563 | null | 0.173 | 0.1652 | null | null | null | 1.066 | 1.108 | 1.108 | null | null | null | has coordinates | S.Shanmuga Sundara Raj; M.N.Ponnuswamy; G.Shanmugam; S.Nanjundan
3-(4-Chlorophenyl)-1-(2-naphthyl)prop-2-enone
Acta Crystallographica Section C
53(7)
(1997)
917-918 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,349 | 10.055 | 0.003 | 22.575 | 0.004 | 18.227 | 0.005 | 90 | null | 99.359 | 0.012 | 90 | null | 4,082.3 | 1.8 | 291 | 1 | 291 | 2 | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | Triphenylsilyl(thiophenyl-2)triphenylphosphonium perrhenate dichloromethane solvate | - C43 H36 Cl2 O4 P Re S Si - | - C43 H36 Cl2 O4 P Re S Si - | - C172 H144 Cl8 O16 P4 Re4 S4 Si4 - | 4 | 1 | AB1433 | Miller, John R.; Lu, Canzhong; Zheng, Yifan | Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1–)–Dichloromethane (1/1) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1039 | 1041 | 10.1107/S0108270197003922 | 0.71073 | MoKα | 0.0702 | 0.0308 | null | 0.0892 | 0.076 | null | null | null | 1.03 | 1.073 | 1.073 | null | null | null | has coordinates | Miller, John R.; Lu, Canzhong; Zheng, Yifan
Triphenyl[2-(triphenylsilyl)phenylthio]phosphonium Tetraoxorhenate(1–)–Dichloromethane (1/1)
Acta Crystallographica Section C
53(8)
(1997)
1039-1041 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,350 | 8.025 | 0.001 | 19.844 | 0.003 | 8.37 | 0.001 | 90 | null | 97.44 | 0.01 | 90 | null | 1,321.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 2-(2-Bromo-4,5-dimethoxyphenyl)-2-(N,N-dimethylamino)acetonitrile | - C12 H15 Br N2 O2 - | - C12 H15 Br N2 O2 - | - C48 H60 Br4 N8 O8 - | 4 | 1 | AB1437 | SanMartín, Raúl; Olivera, Roberto; Domínguez, Esther; Pizarro, José Luis; Arriortua, María Isabel | 2-(2-Bromo-4,5-dimethoxyphenyl)-2-(dimethylamino)acetonitrile | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1141 | 1143 | 10.1107/S0108270197004605 | 0.7107 | MoKα | 0.2572 | 0.029 | null | 0.1162 | 0.0414 | null | null | null | 0.852 | 0.622 | 0.622 | null | null | null | has coordinates | SanMartín, Raúl; Olivera, Roberto; Domínguez, Esther; Pizarro, José Luis; Arriortua, María Isabel
2-(2-Bromo-4,5-dimethoxyphenyl)-2-(dimethylamino)acetonitrile
Acta Crystallographica Section C
53(8)
(1997)
1141-1143 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,500 | 17.683 | 0.008 | 11.118 | 0.005 | 13.547 | 0.006 | 90 | null | 95.469 | 0.013 | 90 | null | 2,651 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | - C32 H24 N2 O7 S - | - C32 H21 N2 O7 S - | - C128 H84 N8 O28 S4 - | 4 | 1 | Goutam Mahata; Sandipan Roy; Kumar Biradh | Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine. | Chem.Commun. | 2,011 | 47 | 6614 | 10.1039/c1cc11481f | 0.71073 | MoKα | 0.1323 | 0.0789 | null | null | 0.1677 | 0.2082 | null | null | null | null | null | 1.084 | null | null | has coordinates | Goutam Mahata; Sandipan Roy; Kumar Biradh
Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine.
Chem.Commun.
47
(2011)
6614 | 180,169 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
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2,006,351 | 9.5433 | 0.0005 | 11.0572 | 0.0007 | 13.0444 | 0.0005 | 78.84 | 0.004 | 89.737 | 0.004 | 89.7 | 0.004 | 1,350.42 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 4-BENZYL-5-ETHYLTHIO-3H-1,2-DITHIOLE-3-THIONE | - C12 H12 S4 - | - C12 H12 S4 - | - C48 H48 S16 - | 4 | 2 | AB1441 | Baggio, Ricardo; Vega, Daniel; Mario L. Aimar; Rita H. de Rossi; Javier Ellena | 4-Benzyl-5-ethylthio-3<i>H</i>-1,2-dithiole-3-thione | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1125 | 1127 | 10.1107/S0108270197003697 | 1.54184 | CuKα | 0.056 | 0.049 | null | 0.137 | 0.132 | null | null | null | 1.12 | 1.164 | 1.164 | null | null | null | has coordinates | Baggio, Ricardo; Vega, Daniel; Mario L. Aimar; Rita H. de Rossi; Javier Ellena
4-Benzyl-5-ethylthio-3<i>H</i>-1,2-dithiole-3-thione
Acta Crystallographica Section C
53(8)
(1997)
1125-1127 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006351.cif $
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2,006,352 | 7.4083 | 0.0001 | 8.5172 | 0.0001 | 14.9425 | 0.0001 | 87.42 | 0.01 | 78.71 | 0.01 | 77.57 | 0.01 | 902.92 | 0.05 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C34 H40 Cu N6 O12 - | - C34 H40 Cu N6 O12 - | - C34 H40 Cu N6 O12 - | 1 | 0.5 | AB1457 | Hökelek, Tuncer; Budak, Kıvanç; Necefoğlu, Hacali | <i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1049 | 1051 | 10.1107/S0108270197004915 | 0.71073 | MoKα | null | 0.056 | null | null | 0.0479 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Hökelek, Tuncer; Budak, Kıvanç; Necefoğlu, Hacali
<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)bis(4-nitrobenzoato-<i>O</i>)copper(II)
Acta Crystallographica Section C
53(8)
(1997)
1049-1051 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,353 | 11.1118 | 0.0013 | 10.3425 | 0.0011 | 6.219 | 0.002 | 90 | null | 103.75 | 0.02 | 90 | null | 694.2 | 0.3 | 143 | null | 298 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Diallysulfide | di-2-propenylsulfide | - C6 H10 S - | - C6 H10 S - | - C24 H40 S4 - | 4 | 0.5 | AV1003 | Bartkowska, Beata; Krüger, Carl | Diallyl Sulfide and Diallyl Disulfide | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1064 | 1066 | 10.1107/S0108270197004368 | 0.71069 | MoKα | 0.0409 | 0.0395 | null | 0.1002 | 0.0998 | null | null | null | 1.221 | 1.248 | 1.248 | null | null | null | has coordinates | Bartkowska, Beata; Krüger, Carl
Diallyl Sulfide and Diallyl Disulfide
Acta Crystallographica Section C
53(8)
(1997)
1064-1066 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,354 | 5.3456 | 0.0012 | 13.94 | 0.003 | 10.8447 | 0.001 | 90 | null | 96.152 | 0.013 | 90 | null | 803.5 | 0.3 | 168 | null | 298 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Diallyldisulfide | di-2-propenyldisulfide | - C6 H10 S2 - | - C6 H10 S2 - | - C24 H40 S8 - | 4 | 1 | AV1003 | Bartkowska, Beata; Krüger, Carl | Diallyl Sulfide and Diallyl Disulfide | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1064 | 1066 | 10.1107/S0108270197004368 | 0.71069 | MoKα | 0.0537 | 0.0498 | null | 0.1376 | 0.1355 | null | null | null | 1.059 | 1.101 | 1.101 | null | null | null | has coordinates | Bartkowska, Beata; Krüger, Carl
Diallyl Sulfide and Diallyl Disulfide
Acta Crystallographica Section C
53(8)
(1997)
1064-1066 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,106,499 | 12.5289 | 0.0004 | 46.5485 | 0.0011 | 10.4955 | 0.0005 | 90 | null | 113.316 | 0.005 | 90 | null | 5,621.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C38 H27 N O2 - | - C38 H27 N O2 - | - C304 H216 N8 O16 - | 8 | 2 | Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang | A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles | Chem.Commun. | 2,011 | 47 | 6620 | 10.1039/c1cc11363a | 1.54184 | CuKα | 0.0835 | 0.0513 | null | null | 0.1201 | 0.1394 | null | null | null | null | null | 1.019 | null | null | has coordinates | Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang
A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles
Chem.Commun.
47
(2011)
6620 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
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2,006,355 | 8.9952 | 0.0013 | 20.46 | 0.002 | 9.864 | 0.002 | 90 | null | 90 | null | 90 | null | 1,815.4 | 0.5 | 98 | null | 298 | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | Tetravinylsilane | Tetraethenylsilane | - C8 H12 Si - | - C8 H12 Si - | - C64 H96 Si8 - | 8 | 1 | AV1004 | Bartkowska, Beata; Krüger, Carl | Tetravinylsilane | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1066 | 1068 | 10.1107/S010827019700437X | 0.71069 | MoKα | 0.0463 | 0.0399 | null | 0.1268 | 0.1222 | null | null | null | 1.027 | 1.079 | 1.079 | null | null | null | has coordinates | Bartkowska, Beata; Krüger, Carl
Tetravinylsilane
Acta Crystallographica Section C
53(8)
(1997)
1066-1068 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006355.cif $
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2,006,356 | 28.818 | 0.007 | 21.357 | 0.002 | 13.668 | 0.006 | 90 | null | 116.29 | 0.03 | 90 | null | 7,542 | 4 | 153 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C35 H33 Cl N3 O17 Re - | - C35 H33 Cl N3 O17 Re - | - C280 H264 Cl8 N24 O136 Re8 - | 8 | 1 | BK1234 | Absi, Michelle; Stern, Charlotte L.; Yoon, Dong I.; Hupp, Joseph T. | A Crown-Linked Donor‒Acceptor Assembly Containing Re^I^(diimine)(CO)~3~Cl and Nitrobenzene Components | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1054 | 1055 | 10.1107/S010827019700036X | 0.71069 | MoKα | null | 0.03 | null | null | 0.035 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Absi, Michelle; Stern, Charlotte L.; Yoon, Dong I.; Hupp, Joseph T.
A Crown-Linked Donor‒Acceptor Assembly Containing Re^I^(diimine)(CO)~3~Cl and Nitrobenzene Components
Acta Crystallographica Section C
53(8)
(1997)
1054-1055 | 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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2,006,357 | 20.527 | 0.002 | 6.144 | 0.002 | 8.604 | 0.002 | 90 | null | 90.08 | 0.02 | 90 | null | 1,085.1 | 0.4 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | anthracene-1-carboxylic acid | anthracene-1-carboxylic acid | - C15 H10 O2 - | - C15 H10 O2 - | - C60 H40 O8 - | 4 | 1 | BK1321 | Fitzgerald, Lawrence J.; Gerkin, Roger E. | Anthracene-1-carboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1080 | 1082 | 10.1107/S0108270197004927 | 0.71073 | MoKα | null | 0.054 | null | null | 0.053 | null | null | null | null | 1.56 | 1.56 | null | null | null | has coordinates | Fitzgerald, Lawrence J.; Gerkin, Roger E.
Anthracene-1-carboxylic Acid
Acta Crystallographica Section C
53(8)
(1997)
1080-1082 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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#-------------------------------------------------------------------... | |||||||||
2,006,358 | 7.356 | 0.001 | 8.986 | 0.002 | 9.544 | 0.002 | 74.37 | 0.03 | 89.69 | 0.03 | 89.34 | 0.03 | 607.5 | 0.2 | 294 | null | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C5 H16 Cl Co N4 O7 - | - C5 H16 Cl Co N4 O7 - | - C10 H32 Cl2 Co2 N8 O14 - | 2 | 1 | BM1124 | Huai-Ming Hu; Hong-Sui Sun; Chun-Ying Duan; Qun Zhao; Xiao-Zeng You | (Carbonato-<i>O</i>,<i>O</i>')bis(1,2-ethanediamine-<i>N</i>,<i>N</i>')cobalt(III) Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1014 | 1015 | 10.1107/S0108270197004083 | 0.71073 | MoKα | 0.0859 | 0.0672 | null | 0.1937 | 0.1752 | null | null | null | 1.091 | 1.199 | 1.199 | null | null | null | has coordinates,has disorder | Huai-Ming Hu; Hong-Sui Sun; Chun-Ying Duan; Qun Zhao; Xiao-Zeng You
(Carbonato-<i>O</i>,<i>O</i>')bis(1,2-ethanediamine-<i>N</i>,<i>N</i>')cobalt(III) Perchlorate
Acta Crystallographica Section C
53(8)
(1997)
1014-1015 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006358.cif $
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7,106,498 | 17.898 | 0.0009 | 8.229 | 0.0004 | 15.4709 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,278.6 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | - C27 H23 N O4 - | - C27 H23 N O4 - | - C108 H92 N4 O16 - | 4 | 1 | Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang | A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles | Chem.Commun. | 2,011 | 47 | 6620 | 10.1039/c1cc11363a | 0.71073 | MoKα | 0.069 | 0.0544 | null | null | 0.1461 | 0.1597 | null | null | null | null | null | 1 | null | null | has coordinates | Xufeng Lin; Zhenjun Mao; Xixiang Dai; Ping Lu; Yanguang Wang
A straightforward one-pot multicomponent synthesis of polysubstituted pyrroles
Chem.Commun.
47
(2011)
6620 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/64/7106498.cif $
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2,006,359 | 8.034 | 0.006 | 9.039 | 0.007 | 11.493 | 0.009 | 106.15 | 0.06 | 92.75 | 0.06 | 106.74 | 0.06 | 760.2 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1-(2,4-Diacetoxyphenyl)-2-phenylethanone | - C18 H16 O5 - | - C18 H16 O5 - | - C36 H32 O10 - | 2 | 1 | BM1147 | Pati, Hari N.; Parmar, Virinder S.; Errington, William | 1-(2,4-Diacetoxyphenyl)-2-phenylethanone | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1161 | 1162 | 10.1107/S0108270197004253 | 0.71073 | MoKα | 0.0637 | 0.0429 | null | 0.1236 | 0.109 | null | null | null | 1.043 | 1.106 | 1.106 | null | null | null | has coordinates | Pati, Hari N.; Parmar, Virinder S.; Errington, William
1-(2,4-Diacetoxyphenyl)-2-phenylethanone
Acta Crystallographica Section C
53(8)
(1997)
1161-1162 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,360 | 10.598 | 0.002 | 24.577 | 0.003 | 11.378 | 0.004 | 90 | null | 104.24 | 0.02 | 90 | null | 2,872.5 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis(Tetra(thf))lithium(I) Tetrachloro di(μ-chloro) bis(thf)dibismuthate(III) | - C20 H40 Bi Cl4 Li O5 - | - C20 H40 Bi Cl4 Li O5 - | - C80 H160 Bi4 Cl16 Li4 O20 - | 4 | 1 | BM1150 | James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J. | Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1024 | 1027 | 10.1107/S0108270197004009 | 0.71073 | MoKα | 0.1236 | 0.0498 | null | 0.0863 | 0.0716 | null | null | null | 0.854 | 0.994 | 0.994 | null | null | null | has coordinates | James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide
Acta Crystallographica Section C
53(8)
(1997)
1024-1027 | 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/2/00/63/2006360.cif $
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2,006,361 | 7.92871 | 0.00011 | 12.663 | 0.002 | 11.447 | 0.003 | 90 | null | 94.116 | 0.003 | 90 | null | 1,146.3 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Antimony(III)iodide tetrahydrofuran | - C4 H8 I3 O Sb - | - C4 H8 I3 O Sb - | - C16 H32 I12 O4 Sb4 - | 4 | 1 | BM1150 | James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J. | Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1024 | 1027 | 10.1107/S0108270197004009 | 0.71073 | MoKα | 0.0303 | 0.0247 | null | 0.0565 | 0.055 | null | null | null | 0.818 | 0.883 | 0.883 | null | null | null | has coordinates | James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide
Acta Crystallographica Section C
53(8)
(1997)
1024-1027 | 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/2/00/63/2006361.cif $
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2,006,362 | 6.7504 | 0.0005 | 6.7504 | null | 8.265 | 0.001 | 90 | null | 90 | null | 90 | null | 376.62 | 0.05 | 295 | null | 295 | null | null | null | null | null | 4 | I -4 2 m | I -4 2 | 121 | - Ag2 As K S4 - | - Ag2 As K S4 - | - Ag4 As2 K2 S8 - | 2 | 0.125 | BR1149 | Schimek, George L.; Kolis, Joseph W. | KAg~2~AsS~4~ | Acta Crystallographica Section C | 1,997 | 53 | 8 | 991 | 992 | 10.1107/S0108270197000450 | 0.71073 | MoKα | null | 0.0241 | null | null | 0.0217 | null | null | null | null | 1.64 | 1.64 | null | null | null | has coordinates | Schimek, George L.; Kolis, Joseph W.
KAg~2~AsS~4~
Acta Crystallographica Section C
53(8)
(1997)
991-992 | 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/2/00/63/2006362.cif $
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2,230,214 | 11.149 | 0.008 | 5.453 | 0.004 | 9.844 | 0.007 | 90 | null | 90.581 | 0.012 | 90 | null | 598.4 | 0.7 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-Chloropyridin-2-amine | - C5 H5 Cl N2 - | - C5 H5 Cl N2 - | - C20 H20 Cl4 N8 - | 4 | 1 | ZS2107 | Hu, Zhi-Nan; Yang, Hui-Bin; Luo, Huan; Li, Bin | 3-Chloropyridin-2-amine | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1138 | 10.1107/S1600536811013432 | 0.71073 | MoKα | 0.0692 | 0.0591 | null | null | 0.1604 | 0.1815 | null | null | null | null | null | 1.052 | null | null | has coordinates,has Fobs | Hu, Zhi-Nan; Yang, Hui-Bin; Luo, Huan; Li, Bin
3-Chloropyridin-2-amine
Acta Crystallographica Section E
67(5)
(2011)
o1138 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230214.cif $
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2,006,363 | 15.634 | 0.002 | 8.479 | 0.001 | 23.404 | 0.003 | 90 | null | 108.6 | 0.01 | 90 | null | 2,940.4 | 0.7 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | dipotassium(+) bis[1,4,7,10,13,16-hexaoxacyclooctadecane- potassium(+)] hexaselenodistannate (4-) tetraethylenediamine | - C32 H80 K4 N8 O12 Se6 Sn2 - | - C32 H80 K4 N8 O12 Se6 Sn2 - | - C64 H160 K8 N16 O24 Se12 Sn4 - | 2 | 0.5 | BR1163 | Borrmann, Horst; Pirani, Ayaaz M.; Schrobilgen, Gary J. | (K^+^)~2~(18-crown-6-K^+^)~2~[Sn~2~Se~6~]^4{-^}.4en: an [Sn~2~Se~6~]^4{-^} Anion with a Short Sn | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1004 | 1006 | 10.1107/S0108270197004939 | 0.71073 | MoKα | 0.0365 | 0.0298 | null | 0.08 | 0.0753 | null | null | null | 1.033 | 1.054 | 1.054 | null | null | null | has coordinates | Borrmann, Horst; Pirani, Ayaaz M.; Schrobilgen, Gary J.
(K^+^)~2~(18-crown-6-K^+^)~2~[Sn~2~Se~6~]^4{-^}.4en: an [Sn~2~Se~6~]^4{-^} Anion with a Short Sn
Acta Crystallographica Section C
53(8)
(1997)
1004-1006 | 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/2/00/63/2006363.cif $
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2,006,364 | 6.6934 | 0.0004 | 9.1833 | 0.0005 | 10.1469 | 0.0006 | 69.479 | 0.001 | 77.218 | 0.001 | 75.761 | 0.001 | 559.88 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | hydrated zinc arsenate | tris(zinc arsenate) tetrahydrate | - As6 H8 O28 Zn9 - | - As6 O28 Zn9 - | - As6 O28 Zn9 - | 1 | 0.5 | BR1175 | Pingyun Feng; Xianhui Bu; Galen D. Stucky | A Synthetic Hydrated Zinc Arsenate Constructed from Tetrahedral, Trigonal Bipyramidal and Octahedral Zinc Polyhedra: [Zn~3~(AsO~4~)~2~]~3~.4H~2~O | Acta Crystallographica Section C | 1,997 | 53 | 8 | 997 | 1000 | 10.1107/S0108270197004095 | 0.71073 | MoKα | 0.051 | 0.0458 | null | 0.1065 | 0.1051 | null | null | null | 0.982 | 1.075 | 1.075 | null | null | null | has coordinates | Pingyun Feng; Xianhui Bu; Galen D. Stucky
A Synthetic Hydrated Zinc Arsenate Constructed from Tetrahedral, Trigonal Bipyramidal and Octahedral Zinc Polyhedra: [Zn~3~(AsO~4~)~2~]~3~.4H~2~O
Acta Crystallographica Section C
53(8)
(1997)
997-1000 | 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/2/00/63/2006364.cif $
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2,006,365 | 11.14 | 0.002 | 12.358 | 0.002 | 20.727 | 0.004 | 87.34 | 0.03 | 85.66 | 0.03 | 88.21 | 0.03 | 2,841.1 | 0.9 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis[4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane- potassium(+1)] eclipsed-decacarbonyldichromate(2-). | - C46 H72 Cr2 K2 N4 O22 - | - C46 H72 Cr2 K2 N4 O22 - | - C92 H144 Cr4 K4 N8 O44 - | 2 | 1 | BR1178 | Horst Borrmann; Ayaaz M. Pirani; Gary J. Schrobilgen | [2,2,2-Crypt-K]~2~[Cr~2~(CO)~10~]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1007 | 1010 | 10.1107/S0108270197004320 | 0.71073 | MoKα | 0.039 | 0.0295 | null | 0.0833 | 0.0767 | null | null | null | 0.989 | 1.012 | 1.012 | null | null | null | has coordinates | Horst Borrmann; Ayaaz M. Pirani; Gary J. Schrobilgen
[2,2,2-Crypt-K]~2~[Cr~2~(CO)~10~]: the First Dinuclear Metal Decacarbonyl Dianion Structure with an Eclipsed Geometry
Acta Crystallographica Section C
53(8)
(1997)
1007-1010 | 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/2/00/63/2006365.cif $
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2,006,366 | 21.4587 | 0.0001 | 14.9163 | 0.0003 | 17.851 | 0.0003 | 90 | null | 95.118 | 0.001 | 90 | null | 5,691.05 | 0.15 | 220 | 2 | 220 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C28 H28.5 I N4.5 O3 Sn - | - C28 H28.5 I N4.5 O3 Sn - | - C224 H228 I8 N36 O24 Sn8 - | 8 | 2 | BS1015 | Watson, Suzanne; Errington, William; Fenn, David; Moore, Peter; Wallbridge, Malcolm G.H. | {Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1031 | 1034 | 10.1107/S0108270197003855 | 0.71073 | MoKα | 0.0536 | 0.0369 | null | 0.0975 | 0.0788 | null | null | null | 1.14 | 1.122 | 1.122 | null | null | null | has coordinates | Watson, Suzanne; Errington, William; Fenn, David; Moore, Peter; Wallbridge, Malcolm G.H.
{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}tin(IV) Iodide Acetonitrile Solvate
Acta Crystallographica Section C
53(8)
(1997)
1031-1034 | 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/2/00/63/2006366.cif $
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2,006,367 | 14.33 | 0.001 | 16.39 | 0.003 | 8.484 | 0.001 | 90 | null | 97.4 | 0.01 | 90 | null | 1,976 | 0.5 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | 1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether | N-(5-Dicyanomethylenecyclohepta-1,3,6- trienyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane | - C20 H25 N3 O4 - | - C20 H25 N3 O4 - | - C80 H100 N12 O16 - | 4 | 1 | BS1019 | Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi | 1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1136 | 1137 | 10.1107/S010827019700512X | 1.54184 | CuKα | 0.0651 | 0.0504 | null | 0.1491 | 0.1354 | null | null | null | 1.051 | 1.08 | 1.08 | null | null | null | has coordinates,has disorder | Kubo, Kanji; Kato, Nobuo; Mori, Akira; Takeshita, Hitoshi
1-(8,8-Dicyanoheptafulven-3-yl)aza-15-crown-5 Ether
Acta Crystallographica Section C
53(8)
(1997)
1136-1137 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006367.cif $
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2,230,213 | 32.212 | 0.007 | 8.2668 | 0.0017 | 25.314 | 0.005 | 90 | null | 117.865 | 0.004 | 90 | null | 5,959 | 2 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | (5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato- κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate | - C36 H31 N2 O4.5 Zn - | - C36 H31 N2 O4.5 Zn - | - C288 H248 N16 O36 Zn8 - | 8 | 1 | ZS2105 | Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong | (5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato-κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m606 | 10.1107/S1600536811013353 | 0.71073 | MoKα | 0.079 | 0.0439 | null | null | 0.0893 | 0.1063 | null | null | null | null | null | 0.988 | null | null | has coordinates,has Fobs | Ji, Li-Li; Liu, Jian-She; Song, Wen-Dong
(5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(1-naphthylacetato-κ<i>O</i>)(1-naphthylacetato-κ^2^<i>O</i>,<i>O</i>')zinc hemihydrate
Acta Crystallographica Section E
67(5)
(2011)
m606 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230213.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,368 | 17.229 | 0.003 | 10.817 | 0.005 | 14.851 | 0.006 | 90 | null | 110.78 | 0.03 | 90 | null | 2,587.7 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis(3-methyl-2,4-pentanedionato)(N,N-bis(2-chloroethyl)1,2-ethane diamine)cobalt(III) perchlorate | - C18 H32 Cl3 Co N2 O8 - | - C18 H32 Cl3 Co N2 O8 - | - C72 H128 Cl12 Co4 N8 O32 - | 4 | 1 | BS1025 | Ware, David C.; Denny, William A.; Clark, George R. | [<i>N</i>,<i>N</i>-Bis(2-chloroethyl)-1,2-ethanediamine-<i>N</i>,<i>N</i>']bis(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) Perchlorate: a Potential Hypoxia Selective Anticancer Agent | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1058 | 1059 | 10.1107/S0108270197004186 | 0.71069 | MoKα | 0.0927 | 0.0504 | null | 0.1597 | 0.1178 | null | null | null | 1.142 | 1.044 | 1.044 | null | null | null | has coordinates | Ware, David C.; Denny, William A.; Clark, George R.
[<i>N</i>,<i>N</i>-Bis(2-chloroethyl)-1,2-ethanediamine-<i>N</i>,<i>N</i>']bis(3-methyl-2,4-pentanedionato-<i>O</i>,<i>O</i>')cobalt(III) Perchlorate: a Potential Hypoxia Selective Anticancer Agent
Acta Crystallographica Section C
53(8)
(1997)
1058-1059 | 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/2/00/63/2006368.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,369 | 7.227 | 0.001 | 34.729 | 0.002 | 9.221 | 0.002 | 90 | null | 90 | null | 90 | null | 2,314.3 | 0.6 | 296 | null | 296 | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | 5,8-dimethoxy-1-naphthoic acid | - C13 H12 O4 - | - C13 H12 O4 - | - C104 H96 O32 - | 8 | 1 | BS1029 | Blackburn, Anthony C.; Gerkin, Roger E. | 5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1077 | 1080 | 10.1107/S0108270197004940 | 0.71073 | MoKα | null | 0.049 | null | null | 0.036 | null | null | null | null | 2.06 | 2.06 | null | null | null | has coordinates | Blackburn, Anthony C.; Gerkin, Roger E.
5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate
Acta Crystallographica Section C
53(8)
(1997)
1077-1080 | 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/2/00/63/2006369.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,370 | 7.707 | 0.002 | 8.72 | 0.001 | 18.619 | 0.002 | 90 | null | 100.97 | 0.01 | 90 | null | 1,228.4 | 0.4 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | methyl 5,8-dimethoxy-1-naphthoate | - C14 H14 O4 - | - C14 H14 O4 - | - C56 H56 O16 - | 4 | 1 | BS1029 | Blackburn, Anthony C.; Gerkin, Roger E. | 5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1077 | 1080 | 10.1107/S0108270197004940 | 0.71073 | MoKα | null | 0.052 | null | null | 0.034 | null | null | null | null | 1.66 | 1.66 | null | null | null | has coordinates | Blackburn, Anthony C.; Gerkin, Roger E.
5,8-Dimethoxy-1-naphthoic Acid and Methyl 5,8-Dimethoxy-1-naphthoate
Acta Crystallographica Section C
53(8)
(1997)
1077-1080 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006370.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,371 | 18.781 | 0.005 | 5.292 | 0.001 | 24.948 | 0.007 | 90 | null | 90.47 | 0.02 | 90 | null | 2,479.5 | 1.1 | 295 | null | 295 | null | null | null | null | null | 5 | I 1 2/a 1 | null | 2,2'-diaminodiphenyl disulfide hemihydrate | - C12 H13 N2 O0.5 S2 - | - C12 H13.5 N2 O S2 - | - C96 H108 N16 O8 S16 - | 8 | 1 | CF1091 | Kaitner, Branko; Pavlović, Gordana | 2,2'-Diaminodiphenyl Disulfide Hemihydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1103 | 1105 | 10.1107/S0108270197004435 | 0.71069 | MoKα | 0.031 | 0.031 | null | 0.051 | 0.051 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Kaitner, Branko; Pavlović, Gordana
2,2'-Diaminodiphenyl Disulfide Hemihydrate
Acta Crystallographica Section C
53(8)
(1997)
1103-1105 | 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/2/00/63/2006371.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,212 | 6.484 | 0.004 | 12.97 | 0.005 | 13.076 | 0.004 | 71.14 | 0.03 | 79.45 | 0.04 | 79.52 | 0.04 | 1,014.1 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | <i>rac</i>-2,2'-(Thiane-2,6-diyl)bis[1-(4-bromophenyl)ethanone] | - C21 H20 Br2 O2 S - | - C21 H20 Br2 O2 S - | - C42 H40 Br4 O4 S2 - | 2 | 1 | ZS2103 | Liu, Li-Qiang; Yang, Jing-Kui | <i>rac</i>-2,2'-(Thiane-2,6-diyl)bis[1-(4-bromophenyl)ethanone] | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1047 | 10.1107/S1600536811011792 | 0.71073 | MoKα | 0.1023 | 0.0545 | null | null | 0.0966 | 0.1123 | null | null | null | null | null | 1.071 | null | null | has coordinates,has Fobs | Liu, Li-Qiang; Yang, Jing-Kui
<i>rac</i>-2,2'-(Thiane-2,6-diyl)bis[1-(4-bromophenyl)ethanone]
Acta Crystallographica Section E
67(5)
(2011)
o1047 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230212.cif $
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2,006,372 | 13.339 | 0.003 | 10.605 | 0.003 | 13.052 | 0.005 | 90 | null | 108.78 | 0.02 | 90 | null | 1,748 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (2S,3R,4R) and (2R,3S,4S)-dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ia)) | - C17 H22 O8 - | - C17 H22 O8 - | - C68 H88 O32 - | 4 | 1 | CF1156 | Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin | Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1133 | 1136 | 10.1107/S0108270197004447 | 0.71073 | MoKα | 0.0977 | 0.0556 | null | 0.1898 | 0.1402 | null | null | null | 0.996 | 1.065 | 1.065 | null | null | null | has coordinates | Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin
Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate
Acta Crystallographica Section C
53(8)
(1997)
1133-1136 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006372.cif $
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2,006,373 | 5.385 | 0.002 | 19.521 | 0.007 | 16.7 | 0.008 | 90 | null | 96.57 | 0.04 | 90 | null | 1,744 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | (2S,3R,4S) and (2R,3S,4S) -dimethyl-2-(3,4,5-trimethoxyphenyl) tetrahydrofuran-3,4-dicarboxylate ((Ib)) | - C17 H22 O8 - | - C17 H22 O8 - | - C68 H88 O32 - | 4 | 1 | CF1156 | Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin | Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1133 | 1136 | 10.1107/S0108270197004447 | 0.71073 | MoKα | 0.1369 | 0.0488 | null | 0.2023 | 0.1221 | null | null | null | 0.96 | 1.065 | 1.065 | null | null | null | has coordinates | Yang, Qing-chuan; Song, Yi-qiu; Tang, You-qi; Pei, Wei-wei; Li, Shao-hu; Ye, Xiu-lin
Two Pairs of Stereoisomers of Dimethyl 2-(3,4,5-Trimethoxyphenyl)tetrahydrofuran-3,4-dicarboxylate
Acta Crystallographica Section C
53(8)
(1997)
1133-1136 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006373.cif $
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2,006,374 | 9.582 | 0.001 | 10.495 | 0.002 | 13.498 | 0.003 | 90 | 0.2 | 90 | 0.3 | 90 | 0.3 | 1,357.4 | 0.4 | 294 | null | 294 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C14 H22 N4 - | - C14 H22 N4 - | - C56 H88 N16 - | 4 | 1 | CF1161 | Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel | (1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1139 | 1141 | 10.1107/S010827019700365X | 0.71073 | MoKα | 0.056 | 0.048 | null | null | 0.068 | null | null | null | null | 1.829 | 1.829 | null | null | null | has coordinates,has Fobs | Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel
(1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene
Acta Crystallographica Section C
53(8)
(1997)
1139-1141 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006374.cif $
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2,006,375 | 15.117 | 0.001 | 14.4592 | 0.0006 | 15.8539 | 0.0009 | 90 | null | 90 | null | 90 | null | 3,465.3 | 0.3 | 297 | null | null | null | null | null | null | null | 4 | P b c a | null | 1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one | - C19 H12 I2 O2 - | - C19 H12 I2 O2 - | - C152 H96 I16 O16 - | 8 | 1 | CF1169 | Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R. | A Diiodo-Substituted 9-Anthracenone | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1138 | 1139 | 10.1107/S0108270197004460 | 0.71073 | MoKα | null | 0.045 | null | null | 0.054 | null | null | null | null | 1.88 | 1.88 | null | null | null | has coordinates | Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.
A Diiodo-Substituted 9-Anthracenone
Acta Crystallographica Section C
53(8)
(1997)
1138-1139 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006375.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,211 | 19.3 | 0.004 | 9.3 | 0.0019 | 13.3 | 0.003 | 90 | null | 107.6 | 0.03 | 90 | null | 2,275.5 | 0.9 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | <i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc | - C20 H28 N2 O10 Zn - | - C20 H28 N2 O10 Zn - | - C80 H112 N8 O40 Zn4 - | 4 | 0.5 | ZS2102 | Huang, Jin-Feng; Zheng, Jian-You; Dai, Yu-Mei | <i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc | Acta Crystallographica Section E | 2,011 | 67 | 5 | m542 | 10.1107/S1600536811012013 | 0.71073 | MoKα | 0.0592 | 0.0553 | null | null | 0.1751 | 0.1787 | null | null | null | null | null | 1.106 | null | null | has coordinates,has Fobs | Huang, Jin-Feng; Zheng, Jian-You; Dai, Yu-Mei
<i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc
Acta Crystallographica Section E
67(5)
(2011)
m542 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230211.cif $
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2,006,376 | 9.606 | 0.002 | 6.378 | 0.002 | 30.077 | 0.005 | 90 | null | 90 | null | 90 | null | 1,842.7 | 0.8 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | N-Carboxy-dl-Phenylalanine Anhydride | - C10 H9 N O3 - | - C10 H9 N O3 - | - C80 H72 N8 O24 - | 8 | 2 | DE1051 | Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi | <i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1154 | 1156 | 10.1107/S0108270197004010 | 1.54184 | CuKα | 0.0453 | 0.0338 | null | 0.0901 | 0.0838 | null | null | null | 1.089 | 1.12 | 1.12 | null | null | null | has coordinates | Hitoshi Kanazawa; Hidehiro Uekusa; Yuji Ohashi
<i>N</i>-Carboxy-<small>DL</small>-phenylalanine Anhydride
Acta Crystallographica Section C
53(8)
(1997)
1154-1156 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006376.cif $
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2,006,377 | 6.706 | 0.001 | 6.806 | 0.001 | 6.997 | 0.001 | 100.73 | 0.02 | 113.33 | 0.02 | 80.53 | 0.02 | 286.65 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | mercury(II)-pyrophosphate | di-mercury(II)-diphosphate | - Hg2 O7 P2 - | - Hg2 O7 P2 - | - Hg4 O14 P4 - | 2 | 1 | DU1174 | Weil, Matthias; Glaum, Robert | Mercury(II) Diphosphate, Hg~2~P~2~O~7~ | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1000 | 1003 | 10.1107/S0108270197003879 | 0.71073 | MoKα | 0.0374 | 0.0266 | null | 0.0662 | 0.0602 | null | null | null | 1.091 | 1.093 | 1.093 | null | null | null | has coordinates | Weil, Matthias; Glaum, Robert
Mercury(II) Diphosphate, Hg~2~P~2~O~7~
Acta Crystallographica Section C
53(8)
(1997)
1000-1003 | 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/2/00/63/2006377.cif $
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2,006,378 | 7.122 | 0.002 | 18.113 | 0.004 | 10.389 | 0.004 | 90 | null | 90 | null | 90 | null | 1,340.2 | 0.7 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 2 | P 2 2ab | 18 | - C13 H17 N3 O5 - | - C13 H17 N3 O5 - | - C52 H68 N12 O20 - | 4 | 1 | FG1253 | Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J. | 3,4-Etheno-5-methoxymethyl-2'-deoxycytidine | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1099 | 1101 | 10.1107/S0108270197003880 | 0.71069 | MolybdenumKα | 0.095 | 0.094 | null | 0.076 | 0.076 | null | null | null | null | 1.43 | 1.43 | null | null | null | has coordinates | Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J.
3,4-Etheno-5-methoxymethyl-2'-deoxycytidine
Acta Crystallographica Section C
53(8)
(1997)
1099-1101 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,379 | 14.997 | 0.006 | 12.898 | 0.009 | 14.743 | 0.014 | 90 | null | 90 | null | 90 | null | 2,852 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | 3-(1,8-naphthalenedicarboximido)benzonitrile, or N-(3-benzonitrile)-1,8-naphthalimide or strict IUPAC name 3-(1,3-dioxo-2,3-dihydro-1H-naphtho-[1,8-cd]- azin-2yl)benzonitrile | - C19 H10 N2 O2 - | - C19 H10 N2 O2 - | - C152 H80 N16 O16 - | 8 | 1 | FG1259 | Batchelor, Rhys A.; Hunter, Christopher A.; Simpson, Jim | 3-(1,8-Naphthalenedicarboximido)benzonitrile [or <i>N</i>-(3-Cyanophenyl)-1,8-naphthalimide], C~19~H~10~N~2~O~2~ | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1117 | 1119 | 10.1107/S0108270197003727 | 0.71073 | MoKα | 0.1431 | 0.0682 | null | 0.1626 | 0.1373 | null | null | null | 0.926 | 1.208 | 1.208 | null | null | null | has coordinates | Batchelor, Rhys A.; Hunter, Christopher A.; Simpson, Jim
3-(1,8-Naphthalenedicarboximido)benzonitrile [or <i>N</i>-(3-Cyanophenyl)-1,8-naphthalimide], C~19~H~10~N~2~O~2~
Acta Crystallographica Section C
53(8)
(1997)
1117-1119 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,380 | 12.023 | 0.002 | 9.446 | 0.002 | 15.205 | 0.002 | 90 | null | 90.243 | 0.014 | 90 | null | 1,726.8 | 0.5 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C20 H16 O4 S - | - C20 H16 O4 S - | - C80 H64 O16 S4 - | 4 | 1 | FG1284 | Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James | Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-<i>S</i>-carbonothioate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1162 | 1164 | 10.1107/S0108270197003892 | 0.7107 | MoKα | 0.092 | 0.0393 | null | 0.0549 | 0.0496 | null | null | null | 1.55 | 1.83 | 1.83 | null | null | null | has coordinates | Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James
Dimethyl 9,10-Dihydro-9,10-ethenoanthracene-11-carboxylate-12-<i>S</i>-carbonothioate
Acta Crystallographica Section C
53(8)
(1997)
1162-1164 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,381 | 12.8075 | 0.0018 | 12.8075 | 0.0018 | 16.419 | 0.003 | 90 | null | 90 | null | 90 | null | 2,693.2 | 0.7 | 143 | 2 | 143 | 2 | null | null | null | null | 3 | P 42 b c | P 4c -2ab | 106 | 1,8-Bis(dimethylphosphino)naphthalene | - C14 H18 P2 - | - C14 H18 P2 - | - C112 H144 P16 - | 8 | 1 | FG1288 | Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard | 1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1119 | 1122 | 10.1107/S010827019700468X | 0.71073 | MoKα | 0.0524 | 0.041 | null | 0.101 | 0.0913 | null | null | null | 1.064 | 1.038 | 1.038 | null | null | null | has coordinates | Jones, Peter G.; Thönnessen, Holger; Karac̨ar, Atilla; Schmutzler, Reinhard
1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry
Acta Crystallographica Section C
53(8)
(1997)
1119-1122 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,210 | 9.144 | 0.0018 | 9.657 | 0.0019 | 28.073 | 0.006 | 90 | null | 90 | null | 90 | null | 2,478.9 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 16-isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene- 5,13,14-trimethanol ethanol monosolvate | - C26 H46 O4 - | - C26 H46 O4 - | - C104 H184 O16 - | 4 | 1 | ZS2101 | Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yan-qing | 16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,13,14-trimethanol ethanol monosolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1076 | 10.1107/S1600536811012207 | 0.71073 | MoKα | 0.1053 | 0.0632 | null | null | 0.1542 | 0.1801 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yan-qing
16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,13,14-trimethanol ethanol monosolvate
Acta Crystallographica Section E
67(5)
(2011)
o1076 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,382 | 11.7734 | 0.0017 | 15.773 | 0.002 | 8.796 | 0.0016 | 90 | null | 95.182 | 0.014 | 90 | null | 1,626.8 | 0.4 | 296 | null | 296 | null | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | sp-9-(o-isopropylphenyl)fluorene | - C22 H20 - | - C22 H20 - | - C88 H80 - | 4 | 1 | FG1290 | Meyers, Cal Y.; Hou, Yuqing; Scott, Delano; Robinson, Paul D. | Exclusive Formation of Crystalline <i>sp</i>-9-(<i>o</i>-Isopropylphenyl)fluorene from its <i>ap</i> Rotamer in Solution | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1149 | 1151 | 10.1107/S0108270197003739 | 0.71069 | MoKα | 0.183 | 0.0459 | null | 0.1619 | 0.109 | null | null | null | 1.016 | 1.173 | 1.173 | null | null | null | has coordinates | Meyers, Cal Y.; Hou, Yuqing; Scott, Delano; Robinson, Paul D.
Exclusive Formation of Crystalline <i>sp</i>-9-(<i>o</i>-Isopropylphenyl)fluorene from its <i>ap</i> Rotamer in Solution
Acta Crystallographica Section C
53(8)
(1997)
1149-1151 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,383 | 10.307 | 0.005 | 16.161 | 0.01 | 22.496 | 0.01 | 91.57 | 0.04 | 89.81 | 0.04 | 101.1 | 0.04 | 3,676 | 3 | 178 | 2 | 178 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(triphenylphosphonine)iminium Trichloro(cyclopentadienyl)chromide(III) | - C41 H35 Cl3 Cr N P2 - | - C41 H35 Cl3 Cr N P2 - | - C164 H140 Cl12 Cr4 N4 P8 - | 4 | 2 | FG1314 | Scheer, Manfred; Jones, Peter G. | Bis(triphenylphosphine-<i>P</i>)iminium Trichloro(η^5^-cyclopentadienyl)chromide(III) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1038 | 1039 | 10.1107/S0108270197005234 | 0.71073 | MoKα | 0.0918 | 0.0498 | null | 0.1642 | 0.1304 | null | null | null | 0.95 | 0.968 | 0.968 | null | null | null | has coordinates | Scheer, Manfred; Jones, Peter G.
Bis(triphenylphosphine-<i>P</i>)iminium Trichloro(η^5^-cyclopentadienyl)chromide(III)
Acta Crystallographica Section C
53(8)
(1997)
1038-1039 | 192,288 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-19 19:24:57 +0200 (Sun, 19 Feb 2017) $
#$Revision: 192288 $
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2,006,384 | 8.362 | 0.002 | 16.727 | 0.002 | 11.554 | 0.002 | 90 | null | 95.561 | 0.002 | 90 | null | 1,608.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C19 H16 N2 O S - | - C19 H16 N2 O S - | - C76 H64 N8 O4 S4 - | 4 | 1 | FR1015 | Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia | 4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1158 | 1160 | 10.1107/S0108270196014515 | 0.71069 | MoKα | 0.067 | 0.046 | null | 0.118 | 0.111 | null | null | null | 1.122 | 1.215 | 1.215 | null | null | null | has coordinates | Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia
4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile
Acta Crystallographica Section C
53(8)
(1997)
1158-1160 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,385 | 24.967 | 0.003 | 6.075 | 0.002 | 13.232 | 0.002 | 90 | null | 113.134 | 0.011 | 90 | null | 1,845.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | (-)-labda-8(17),13E-dien-15-oic | - C20 H32 O2 - | - C20 H31.5 O2 - | - C80 H126 O8 - | 4 | 1 | FR1024 | Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina | (13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1068 | 1070 | 10.1107/S0108270197003016 | 0.71069 | MoKα | 0.0742 | 0.044 | null | 0.163 | 0.1194 | null | null | null | 1.108 | 1.15 | 1.15 | null | null | null | has coordinates | Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina
(13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid
Acta Crystallographica Section C
53(8)
(1997)
1068-1070 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,386 | 10.429 | 0.002 | 10.699 | 0.003 | 11.743 | 0.003 | 114.41 | 0.02 | 107.43 | 0.03 | 96.33 | 0.04 | 1,096.3 | 0.6 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C42 H50 N4 Ni3 O10 S2 - | - C42 H50 N4 Ni3 O10 S2 - | - C42 H50 N4 Ni3 O10 S2 - | 1 | 0.5 | FR1035 | Ülkü, Dinçer; Ercan, Filiz; Atakol, Orhan; Dinçer, F. Nazlι | Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](dimethyl sulfoxide)nickel(II)}nickel(II) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1056 | 1057 | 10.1107/S0108270197004733 | 0.71073 | MoKα | null | 0.048 | null | null | 0.049 | null | null | null | null | 0.96 | 0.96 | null | null | null | has coordinates | Ülkü, Dinçer; Ercan, Filiz; Atakol, Orhan; Dinçer, F. Nazlι
Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato](dimethyl sulfoxide)nickel(II)}nickel(II)
Acta Crystallographica Section C
53(8)
(1997)
1056-1057 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,209 | 10.2947 | 0.0009 | 11.8526 | 0.001 | 12.8501 | 0.0011 | 90 | null | 97.933 | 0.002 | 90 | null | 1,553 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Poly[tetrakis(μ~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine- κ<i>N</i>)dizinc] | - C15 H12 N2 O6 Zn - | - C15 H12 N2 O6 Zn - | - C60 H48 N8 O24 Zn4 - | 4 | 1 | ZS2089 | Ma, Qing-Yu; Guan, Rui-Fang; Li, Guo-Zhong | Poly[tetrakis(μ~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine-κ<i>N</i>)dizinc] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m586 | 10.1107/S1600536811013092 | 0.71073 | MoKα | 0.0484 | 0.0328 | null | null | 0.0748 | 0.0811 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Ma, Qing-Yu; Guan, Rui-Fang; Li, Guo-Zhong
Poly[tetrakis(μ~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine-κ<i>N</i>)dizinc]
Acta Crystallographica Section E
67(5)
(2011)
m586 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230209.cif $
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2,006,387 | 16.54 | 0.001 | 15.605 | 0.002 | 10.445 | 0.001 | 90 | null | 104.9 | 0.01 | 90 | null | 2,605.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Tetrachlorotetrakis(tetrahydrofuran)di-μ-thioxodiniobium(IV) | - C16 H32 Cl4 Nb2 O4 S2 - | - C16 H32 Cl4 Nb2 O4 S2 - | - C64 H128 Cl16 Nb8 O16 S8 - | 4 | 1 | FR1039 | Myungok Yoon; Victor Young Jr; Gordon J. Miller; . | A Bioctahedral Nb^IV^ Cluster with Bridging Sulfides: [Nb~2~(μ-S)~2~Cl~4~(thf)~4~] | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1041 | 1043 | 10.1107/S0108270197004277 | 0.71073 | MoKα | 0.0779 | 0.0416 | null | 0.1112 | 0.0972 | null | null | null | 1.034 | 1.089 | 1.089 | null | null | null | has coordinates | Myungok Yoon; Victor Young Jr; Gordon J. Miller; .
A Bioctahedral Nb^IV^ Cluster with Bridging Sulfides: [Nb~2~(μ-S)~2~Cl~4~(thf)~4~]
Acta Crystallographica Section C
53(8)
(1997)
1041-1043 | 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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2,006,388 | 7.567 | 0.0014 | 8.7781 | 0.0007 | 10.2806 | 0.0016 | 108.941 | 0.01 | 94.805 | 0.014 | 98.788 | 0.011 | 631.79 | 0.17 | 293 | null | 293 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate | trans-diaquabis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate | - C20 H20 F12 N4 O2 P2 Ru - | - C20 H20 F12 N4 O2 P2 Ru - | - C20 H20 F12 N4 O2 P2 Ru - | 1 | 0.5 | FR1040 | Weathers, Norman R.; Sadoski, Robert C.; Durham, Bill; Cordes, A. Wallace | <i>trans</i>-Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1047 | 1049 | 10.1107/S0108270197004381 | 0.7107 | MolybdenumKα | 0.04 | 0.04 | null | 0.051 | 0.051 | null | null | null | null | 0.9 | 0.9 | null | null | null | has coordinates | Weathers, Norman R.; Sadoski, Robert C.; Durham, Bill; Cordes, A. Wallace
<i>trans</i>-Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)
Acta Crystallographica Section C
53(8)
(1997)
1047-1049 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,389 | 8.468 | 0.0014 | 11.1997 | 0.0007 | 6.822 | 0.0009 | 90 | null | 90 | null | 90 | null | 646.99 | 0.14 | 296 | null | 296 | null | null | null | null | null | 4 | C m c m | -C 2c 2 | 63 | 1,3-dimethylimidazole-2-thione | 1,3-dimethyl-2(3H)-imidazolethione | - C5 H8 N2 S - | - C5 H8 N2 S - | - C20 H32 N8 S4 - | 4 | 0.25 | HA1189 | Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade | Redetermination of 1,3-Dimethylimidazole-2-thione | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1153 | 1154 | 10.1107/S0108270197004198 | 0.71073 | MoKα | null | 0.049 | null | null | 0.04 | null | null | null | null | 1.169 | 1.169 | null | null | null | has coordinates | Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade
Redetermination of 1,3-Dimethylimidazole-2-thione
Acta Crystallographica Section C
53(8)
(1997)
1153-1154 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,390 | 4.832 | 0.002 | 10.222 | 0.006 | 13.426 | 0.006 | 73.3 | 0.04 | 81.43 | 0.03 | 88.83 | 0.04 | 627.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C15 H14 O4 - | - C15 H14 O4 - | - C30 H28 O8 - | 2 | 1 | HA1191 | Damas, Ana M.; Roleira, Fernanda F.; Pinto, Madalena M. M. | 2-[2-(Hydroxyethyl)phenoxy]benzoic Acid | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1143 | 1145 | 10.1107/S0108270197004344 | 0.71069 | MoKα | 0.0632 | 0.0389 | null | 0.1235 | 0.0932 | null | null | null | 1.031 | 1.033 | 1.033 | null | null | null | has coordinates | Damas, Ana M.; Roleira, Fernanda F.; Pinto, Madalena M. M.
2-[2-(Hydroxyethyl)phenoxy]benzoic Acid
Acta Crystallographica Section C
53(8)
(1997)
1143-1145 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006390.cif $
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2,006,391 | 7.498 | 0.003 | 12.564 | 0.004 | 16.296 | 0.013 | 90 | null | 93.36 | 0.04 | 90 | null | 1,532.5 | 1.5 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | methyl (E)-3-(imidazol-4-yl)propenoate hemihydrate | - C7 H9 N2 O2.5 - | - C7 H9 N2 O2.5 - | - C56 H72 N16 O20 - | 8 | 1 | HA1192 | Blake, Alexander J.; McNab, Hamish; Thornley, Craig | Four Methyl Azolyl-3-propenoates | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1093 | 1097 | 10.1107/S0108270197004952 | 0.71073 | MoKα | 0.0365 | 0.0333 | null | 0.0955 | 0.0926 | null | null | null | 1.057 | 1.075 | 1.075 | null | null | null | has coordinates | Blake, Alexander J.; McNab, Hamish; Thornley, Craig
Four Methyl Azolyl-3-propenoates
Acta Crystallographica Section C
53(8)
(1997)
1093-1097 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006391.cif $
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2,006,392 | 10.795 | 0.003 | 8.271 | 0.001 | 17.803 | 0.003 | 90 | null | 92.957 | 0.015 | 90 | null | 1,587.4 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | methyl (E)-3-(pyrrol-2-yl)propenoate | - C8 H9 N O2 - | - C8 H9 N O2 - | - C64 H72 N8 O16 - | 8 | 2 | HA1192 | Blake, Alexander J.; McNab, Hamish; Thornley, Craig | Four Methyl Azolyl-3-propenoates | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1093 | 1097 | 10.1107/S0108270197004952 | 0.71073 | MoKα | 0.2221 | 0.058 | null | 0.2147 | 0.1413 | null | null | null | 1.014 | 1.205 | 1.205 | null | null | null | has coordinates | Blake, Alexander J.; McNab, Hamish; Thornley, Craig
Four Methyl Azolyl-3-propenoates
Acta Crystallographica Section C
53(8)
(1997)
1093-1097 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,208 | 13.105 | 0.0008 | 11.119 | 0.0007 | 22.324 | 0.0013 | 90 | null | 90.999 | 0.001 | 90 | null | 3,252.4 | 0.3 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | {μ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitrato samarium(III)zinc(II) methanol disolvate | - C23 H36 N5 O17 Sm Zn - | - C23 H36 N5 O17 Sm Zn - | - C92 H144 N20 O68 Sm4 Zn4 - | 4 | 1 | ZS2088 | Liu, Fei; Zhang, Fang | {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitratosamarium(III)zinc(II) methanol disolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m525 | 10.1107/S1600536811007641 | 0.71073 | MoKα | 0.0835 | 0.0701 | null | null | 0.1297 | 0.133 | null | null | null | null | null | 1.459 | null | null | has coordinates,has Fobs | Liu, Fei; Zhang, Fang
{μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitratosamarium(III)zinc(II) methanol disolvate
Acta Crystallographica Section E
67(5)
(2011)
m525 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230208.cif $
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2,006,393 | 9.706 | 0.002 | 8.9898 | 0.0009 | 17.714 | 0.003 | 90 | null | 90 | null | 90 | null | 1,545.6 | 0.4 | 277 | 2 | 277 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | methyl (E)-3-(imidazol-2-yl)propenoate | - C7 H8 N2 O2 - | - C7 H8 N2 O2 - | - C56 H64 N16 O16 - | 8 | 1 | HA1192 | Blake, Alexander J.; McNab, Hamish; Thornley, Craig | Four Methyl Azolyl-3-propenoates | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1093 | 1097 | 10.1107/S0108270197004952 | 0.71073 | MoKα | 0.1105 | 0.0438 | null | 0.1366 | 0.0969 | null | null | null | 1.108 | 1.095 | 1.095 | null | null | null | has coordinates | Blake, Alexander J.; McNab, Hamish; Thornley, Craig
Four Methyl Azolyl-3-propenoates
Acta Crystallographica Section C
53(8)
(1997)
1093-1097 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006393.cif $
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2,006,394 | 15.7 | 0.013 | 18.927 | 0.016 | 7.311 | 0.005 | 90 | null | 100.13 | 0.06 | 90 | null | 2,139 | 3 | 277 | 2 | 277 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | methyl (Z)-3-(imidazol-2-yl)propenoate | - C7 H8 N2 O2 - | - C7 H8 N2 O2 - | - C84 H96 N24 O24 - | 12 | 3 | HA1192 | Blake, Alexander J.; McNab, Hamish; Thornley, Craig | Four Methyl Azolyl-3-propenoates | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1093 | 1097 | 10.1107/S0108270197004952 | 0.71073 | MoKα | 0.0712 | 0.0387 | null | 0.1177 | 0.1027 | null | null | null | 1.036 | 1.106 | 1.106 | null | null | null | has coordinates | Blake, Alexander J.; McNab, Hamish; Thornley, Craig
Four Methyl Azolyl-3-propenoates
Acta Crystallographica Section C
53(8)
(1997)
1093-1097 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,395 | 12.3962 | 0.0008 | 7.8062 | 0.0005 | 30.305 | 0.0002 | 90 | null | 106.319 | 0.005 | 90 | null | 2,814.4 | 0.3 | 150 | null | 150 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H21 N O - | - C17 H21 N O - | - C136 H168 N8 O8 - | 8 | 2 | JZ1173 | Kooijman, Huub; Spek, Anthony L.; Hoogesteger, Frans J.; Jenneskens, Leonardus W. | 4-(1-Phenylpiperidin-4-ylidene)cyclohexanone | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1156 | 1158 | 10.1107/S0108270197003958 | 0.71073 | MoKα | 0.063 | 0.063 | null | 0.148 | 0.148 | null | null | null | 0.96 | 0.96 | 0.96 | null | null | null | has coordinates | Kooijman, Huub; Spek, Anthony L.; Hoogesteger, Frans J.; Jenneskens, Leonardus W.
4-(1-Phenylpiperidin-4-ylidene)cyclohexanone
Acta Crystallographica Section C
53(8)
(1997)
1156-1158 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/63/2006395.cif $
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2,006,396 | 9.838 | 0.005 | 12.524 | 0.005 | 12.842 | 0.006 | 69.12 | 0.03 | 68 | 0.04 | 82.42 | 0.04 | 1,370.7 | 1.2 | 126 | 2 | 126 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis[anhydromesorhodochlorinato-XV methyl ester)zinc(II)] | Bis{(8,13-diethyl-2,21,22,23-tetrahydro-18-methoxycarbonyl-3,7,12,17- tetramethyl-23-oxo-3H-benzo[at]porphyrinato)zinc(II)} | - C66 H68 N8 O6 Zn2 - | - C66 H68 N8 O6 Zn2 - | - C66 H68 N8 O6 Zn2 - | 1 | 0.5 | JZ1192 | Senge, Mathias O.; Smith, Kevin M. | Bis[(anhydro-<i>meso</i>-rhodochlorinato-XV methyl ester)zinc(II)] | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1022 | 1024 | 10.1107/S0108270197002977 | 0.71073 | MoKα | 0.0987 | 0.0681 | null | 0.1633 | 0.1463 | null | null | null | 1.029 | 1.079 | 1.079 | null | null | null | has coordinates | Senge, Mathias O.; Smith, Kevin M.
Bis[(anhydro-<i>meso</i>-rhodochlorinato-XV methyl ester)zinc(II)]
Acta Crystallographica Section C
53(8)
(1997)
1022-1024 | 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/2/00/63/2006396.cif $
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2,006,397 | 8.646 | 0.0011 | 10.849 | 0.0013 | 15.96 | 0.0002 | 90 | null | 95.48 | 0.02 | 90 | null | 1,490.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Dicarbonylbis(η^5^-cyclopentadienyl)-(μ-1,4-η:4,5-η-1,4-pentadien- 1,4-diyl)oxoditungsten(W-W) | - C17 H16 O3 W2 - | - C17 H16 O3 W2 - | - C68 H64 O12 W8 - | 4 | 1 | JZ1195 | Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J. | Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1018 | 1020 | 10.1107/S0108270197004393 | 0.71069 | MoKα | 0.0314 | 0.0284 | null | 0.0747 | 0.0733 | null | null | null | 1.136 | 1.16 | 1.16 | null | null | null | has coordinates | Kreiter, Cornelius G.; Schwarz, C. Bettina; Frank, Walter; Reiß, Guido J.
Photochemical Reactions of Transition Metal Organyl Complexes with Olefins. 18. Dicarbonylbis(η^5^-cyclopentadienyl)(μ-1,4-η:4,5-η-1,4-pentadien-1,4-diyl)oxoditungsten(<i>W</i>—<i>W</i>)
Acta Crystallographica Section C
53(8)
(1997)
1018-1020 | 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/2/00/63/2006397.cif $
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2,230,207 | 6.6123 | 0.0009 | 3.7648 | 0.0008 | 22.554 | 0.003 | 90 | null | 93.14 | 0.02 | 90 | null | 560.62 | 0.16 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 1 2/n 1 | -P 2yac | 13 | Biphenyl-3,3'-dicarboxylic acid | - C14 H10 O4 - | - C14 H10 O4 - | - C28 H20 O8 - | 2 | 0.5 | ZQ2097 | Deng, Shao-Hua; Zhao, Jun; Mu, Yi-Qiang; Li, Cai; Liu, Hui-Min | Biphenyl-3,3'-dicarboxylic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1221 | 10.1107/S1600536811014334 | 0.71073 | MoKα | 0.064 | 0.0522 | null | null | 0.1429 | 0.1548 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Deng, Shao-Hua; Zhao, Jun; Mu, Yi-Qiang; Li, Cai; Liu, Hui-Min
Biphenyl-3,3'-dicarboxylic acid
Acta Crystallographica Section E
67(5)
(2011)
o1221 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230207.cif $
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2,006,398 | 14.1995 | 0.0007 | 11.3316 | 0.0005 | 9.7483 | 0.0005 | 90 | null | 106.453 | 0.004 | 90 | null | 1,504.3 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (3,5-Dimethylpyridine) (N-salicylideneglycinato)-Copper(II) Polymer | - C16 H16 Cu N2 O3 - | - C16 H16 Cu N2 O3 - | - C64 H64 Cu4 N8 O12 - | 4 | 1 | JZ1196 | Warda, Salam A. | A (3,5-Dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')copper(II) Polymer | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1010 | 1011 | 10.1107/S0108270197004241 | 1.54178 | CuKα | 0.0558 | 0.0553 | null | 0.1467 | 0.1462 | null | null | null | 1.143 | 1.153 | 1.153 | null | null | null | has coordinates | Warda, Salam A.
A (3,5-Dimethylpyridine-<i>N</i>)(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'')copper(II) Polymer
Acta Crystallographica Section C
53(8)
(1997)
1010-1011 | 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/2/00/63/2006398.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,399 | 16.8637 | 0.0014 | 9.3561 | 0.0006 | 7.4402 | 0.0013 | 90 | null | 111.934 | 0.011 | 90 | null | 1,088.9 | 0.2 | 150 | null | 150 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | (Bipyridyl-N,N')dibromopalladium(II) | - C10 H8 Br2 N2 Pd - | - C10 H8 Br2 N2 Pd - | - C40 H32 Br8 N8 Pd4 - | 4 | 0.5 | JZ1200 | Smeets, Wilberth J.J.; Spek, Anthony L.; Hoare, Jason L.; Canty, Allan J.; Hovestad, Neldes; van Koten, Gerard | (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')dibromopalladium(II) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1045 | 1047 | 10.1107/S0108270197004149 | 0.71073 | MoKα | null | 0.051 | null | null | null | 0.135 | null | null | null | null | null | 1.044 | null | null | has coordinates | Smeets, Wilberth J.J.; Spek, Anthony L.; Hoare, Jason L.; Canty, Allan J.; Hovestad, Neldes; van Koten, Gerard
(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')dibromopalladium(II)
Acta Crystallographica Section C
53(8)
(1997)
1045-1047 | 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/2/00/63/2006399.cif $
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2,006,400 | 16.746 | 0.002 | 12.974 | 0.002 | 11.582 | 0.002 | 90 | null | 90 | null | 90 | null | 2,516.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Potassium strontium tetraborate decahydrate | - B8 H28 K2 O28 Sr - | - B8 H28 K2 O28 Sr - | - B32 H112 K8 O112 Sr4 - | 4 | 1 | KA1150 | Xavier Solans; Joaquim Solans; M. Victoria Domènech | Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 994 | 997 | 10.1107/S0108270196007032 | 0.71069 | MoKα | 0.033 | 0.033 | null | 0.076 | 0.076 | null | null | null | 0.994 | 0.993 | 0.993 | null | null | null | has coordinates | Xavier Solans; Joaquim Solans; M. Victoria Domènech
Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate
Acta Crystallographica Section C
53(8)
(1997)
994-997 | 134,621 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $
#$Revision: 134621 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006400.cif $
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2,006,401 | 16.659 | 0.002 | 12.571 | 0.002 | 11.588 | 0.002 | 90 | null | 90 | null | 90 | null | 2,426.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Ammonium Calcium Tetraborate Octohydrate | - B8 Ca H32 N2 O26 - | - B8 Ca H32 N2 O26 - | - B32 Ca4 H128 N8 O104 - | 4 | 1 | KA1150 | Xavier Solans; Joaquim Solans; M. Victoria Domènech | Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 994 | 997 | 10.1107/S0108270196007032 | 0.71069 | MoKα | 0.026 | 0.026 | null | 0.067 | 0.067 | null | null | null | 1.02 | 1.02 | 1.02 | null | null | null | has coordinates | Xavier Solans; Joaquim Solans; M. Victoria Domènech
Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate
Acta Crystallographica Section C
53(8)
(1997)
994-997 | 134,621 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-04-02 14:22:18 +0300 (Thu, 02 Apr 2015) $
#$Revision: 134621 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006401.cif $
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2,230,206 | 7.062 | 0.0005 | 7.2069 | 0.0004 | 11.5995 | 0.0008 | 78.46 | 0.003 | 75.806 | 0.003 | 77.379 | 0.003 | 551.77 | 0.06 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate | - C14 H24 N2 O16 S2 - | - C14 H24 N2 O16 S2 - | - C14 H24 N2 O16 S2 - | 1 | 0.5 | ZQ2096 | Selvaraju, Devipriya; Venkatesh, Ranjithkumar; Sundararajan, Vairam | Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1236 | o1237 | 10.1107/S1600536811014231 | 0.71073 | MoKα | 0.0407 | 0.0396 | null | null | 0.1056 | 0.107 | null | null | null | null | null | 1.12 | null | null | has coordinates,has Fobs | Selvaraju, Devipriya; Venkatesh, Ranjithkumar; Sundararajan, Vairam
Hydrazine-1,2-diium bis(3-carboxy-4-hydroxybenzenesulfonate) tetrahydrate
Acta Crystallographica Section E
67(5)
(2011)
o1236-o1237 | 219,800 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219800 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230206.cif $
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2,006,402 | 8.676 | 0.001 | 44.948 | 0.002 | 22.143 | 0.002 | 90 | null | 99.369 | 0.005 | 90 | null | 8,519.9 | 1.3 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | (1RS,3SR,4RS,5RS,7SR,9SR)-4,7-diacetyl-9-hydroxy-1,3,5,9-tetramethyl -2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane | - C14 H20 O6 - | - C14 H20 O6 - | - C336 H480 O144 - | 24 | 6 | KA1225 | Raabe, Gerhard; Hall, Sydney R.; .; Thomas, Hans Günter; .; Wellen, Ulrich; .; Simons, Josef; . | (1<i>RS</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,7<i>SR</i>,9<i>SR</i>)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed Under Cathodic Conditions | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1107 | 1111 | 10.1107/S0108270197005477 | 1.54179 | CuKα | 0.105 | 0.059 | null | 0.074 | 0.067 | null | null | null | 1.986 | 2.529 | 2.529 | null | null | null | has coordinates | Raabe, Gerhard; Hall, Sydney R.; .; Thomas, Hans Günter; .; Wellen, Ulrich; .; Simons, Josef; .
(1<i>RS</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,7<i>SR</i>,9<i>SR</i>)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed Under Cathodic Conditions
Acta Crystallograph... | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,403 | 11.786 | 0.002 | 5.543 | 0.001 | 17.799 | 0.004 | 90 | null | 106.16 | 0.03 | 90 | null | 1,116.9 | 0.4 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 9-Methylthiophenanthrene | - C15 H12 S - | - C15 H12 S - | - C60 H48 S4 - | 4 | 2 | KA1230 | Jarno Kansikas; Kaija Sipilä | Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1127 | 1131 | 10.1107/S0108270197004575 | 0.71069 | MoKα | 0.0948 | 0.073 | null | 0.2093 | 0.1811 | null | null | null | 1.04 | 1.101 | 1.101 | null | null | null | has coordinates | Jarno Kansikas; Kaija Sipilä
Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)
Acta Crystallographica Section C
53(8)
(1997)
1127-1131 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006403.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,404 | 9.054 | 0.004 | 20.644 | 0.009 | 6.659 | 0.003 | 90 | null | 98.1 | 0.03 | 90 | null | 1,232.2 | 0.9 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 9-Ethylthiophenanthrene | - C16 H14 S - | - C16 H14 S - | - C64 H56 S4 - | 4 | 1 | KA1230 | Jarno Kansikas; Kaija Sipilä | Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1127 | 1131 | 10.1107/S0108270197004575 | 0.71069 | MoKα | 0.0996 | 0.0679 | null | 0.1553 | 0.1378 | null | null | null | 1.03 | 1.103 | 1.103 | null | null | null | has coordinates | Jarno Kansikas; Kaija Sipilä
Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)
Acta Crystallographica Section C
53(8)
(1997)
1127-1131 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006404.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,405 | 9.067 | 0.003 | 21.123 | 0.007 | 7.007 | 0.003 | 90 | null | 99.12 | 0.03 | 90 | null | 1,325 | 0.8 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 9-Propylthiophenanthrene | - C17 H16 S - | - C17 H16 S - | - C68 H64 S4 - | 4 | 1 | KA1230 | Jarno Kansikas; Kaija Sipilä | Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1127 | 1131 | 10.1107/S0108270197004575 | 0.71069 | MoKα | 0.0863 | 0.0504 | null | 0.1856 | 0.1419 | null | null | null | 1.04 | 1.041 | 1.041 | null | null | null | has coordinates | Jarno Kansikas; Kaija Sipilä
Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)
Acta Crystallographica Section C
53(8)
(1997)
1127-1131 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006405.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,205 | 8.875 | 0.0006 | 9.201 | 0.0007 | 10.2677 | 0.0007 | 82.5151 | 0.0009 | 65.636 | 0.001 | 82.798 | 0.001 | 754.89 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | [2-Amino-4,6-bis(2-pyridyl)-1,3,5-triazine- κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^]dichloridocadmium(II) | - C13 H10 Cd Cl2 N6 - | - C13 H10 Cd Cl2 N6 - | - C26 H20 Cd2 Cl4 N12 - | 2 | 1 | ZQ2094 | Cao, Man-Li; Shi, Lei | [2-Amino-4,6-bis(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^]dichloridocadmium(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m638 | 10.1107/S1600536811012517 | 0.71073 | MoKα | 0.0205 | 0.0196 | null | null | 0.0547 | 0.0559 | null | null | null | null | null | 1.013 | null | null | has coordinates,has Fobs | Cao, Man-Li; Shi, Lei
[2-Amino-4,6-bis(2-pyridyl)-1,3,5-triazine-κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^]dichloridocadmium(II)
Acta Crystallographica Section E
67(5)
(2011)
m638 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230205.cif $
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2,006,406 | 9.01 | 0.004 | 23.124 | 0.008 | 6.888 | 0.003 | 90 | null | 97.81 | 0.03 | 90 | null | 1,421.8 | 1 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 9-Butylthiophenantrene | - C18 H18 S - | - C18 H18 S - | - C72 H72 S4 - | 4 | 1 | KA1230 | Jarno Kansikas; Kaija Sipilä | Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1127 | 1131 | 10.1107/S0108270197004575 | 0.71069 | MoKα | 0.0779 | 0.0596 | null | 0.1664 | 0.1303 | null | null | null | 1.964 | 2.169 | 2.169 | null | null | null | has coordinates | Jarno Kansikas; Kaija Sipilä
Four 9-Alkylthiophenanthrenes at 193K (Alkyl = Methyl, Ethyl, Propyl and Butyl)
Acta Crystallographica Section C
53(8)
(1997)
1127-1131 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006406.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,407 | 29.268 | 0.003 | 8.9925 | 0.0006 | 13.569 | 0.002 | 90 | null | 115.063 | 0.006 | 90 | null | 3,235 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Tetramethylammonium hydrogen bis[bis(N,N-dimethylthiocarbamoylthio)acetate] | - C20 H39 N5 O4 S8 - | - C20 H39 N5 O4 S8 - | - C80 H156 N20 O16 S32 - | 4 | 0.5 | KH1134 | Ng, Seik Weng | Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate] | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1111 | 1113 | 10.1107/S0108270197004204 | 0.71073 | MoKα | 0.0499 | 0.0391 | null | 0.1043 | 0.0985 | null | null | null | 1.037 | 1.095 | 1.095 | null | null | null | has coordinates | Ng, Seik Weng
Tetramethylammonium Hydrogen Bis[bis(dimethyldithiocarbamyl)acetate]
Acta Crystallographica Section C
53(8)
(1997)
1111-1113 | 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/2/00/64/2006407.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,408 | 9.515 | 0.001 | 12.234 | 0.001 | 12.787 | 0.001 | 89.888 | 0.008 | 97.377 | 0.009 | 90.29 | 0.009 | 1,476.1 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Bis[aqua(chlorodifluoroacetato)triphenyltin-1,10-phenanthroline] | - C32 H25 Cl F2 N2 O3 Sn - | - C32 H25 Cl F2 N2 O3 Sn - | - C64 H50 Cl2 F4 N4 O6 Sn2 - | 2 | 1 | KH1135 | Ng, Seik Weng | Bis[aqua(chlorodifluoroacetato-<i>O</i>)triphenyltin‒1,10-phenanthroline] | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1059 | 1061 | 10.1107/S0108270197003867 | 0.71073 | MoKα | 0.063 | 0.0557 | null | 0.1447 | 0.1397 | null | null | null | 1.087 | 1.14 | 1.14 | null | null | null | has coordinates | Ng, Seik Weng
Bis[aqua(chlorodifluoroacetato-<i>O</i>)triphenyltin‒1,10-phenanthroline]
Acta Crystallographica Section C
53(8)
(1997)
1059-1061 | 198,932 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-23 20:46:58 +0300 (Sun, 23 Jul 2017) $
#$Revision: 198932 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006408.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,409 | 10.3733 | 0.001 | 14.724 | 0.003 | 20.471 | 0.001 | 90 | null | 90 | null | 90 | null | 3,126.7 | 0.7 | 293 | null | 293 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C18 H18 Cu N2 O2 - | - C18 H18 Cu N2 O2 - | - C144 H144 Cu8 N16 O16 - | 8 | 1 | KH1140 | Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey | [<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1012 | 1013 | 10.1107/S0108270197003636 | 0.7093 | MolybdenumKα | 0.04 | 0.04 | null | 0.032 | 0.032 | null | null | null | null | 2.19 | 2.19 | null | null | null | has coordinates | Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey
[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II)
Acta Crystallographica Section C
53(8)
(1997)
1012-1013 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006409.cif $
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2,006,410 | 15.2699 | 0.0009 | 6.833 | 0.002 | 19.9199 | 0.0013 | 90 | null | 90 | null | 90 | null | 2,078.4 | 0.6 | 293 | 1 | 293 | 1 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - C12 H14 O3 - | - C12 H14 O3 - | - C96 H112 O24 - | 8 | 1 | KH1143 | Gable, Robert W.; Gan, Chee Yong; Lambert, John N. | Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1122 | 1124 | 10.1107/S0108270197002898 | 1.5418 | CuKα(nickelfiltered) | 0.095 | 0.05 | null | 0.151 | 0.121 | null | null | null | 1.027 | 1.151 | 1.151 | null | null | null | has coordinates,has disorder,has Fobs | Gable, Robert W.; Gan, Chee Yong; Lambert, John N.
Methyl 8-Hydroxy-1,2,3,4-tetrahydronaphthalene-5-carboxylate
Acta Crystallographica Section C
53(8)
(1997)
1122-1124 | 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/2/00/64/2006410.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,411 | 14.4679 | 0.001 | 11.5916 | 0.001 | 11.456 | 0.003 | 90 | 0.01 | 107.05 | 0.01 | 90 | 0.009 | 1,836.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H23 N O4 S Si - | - C16 H23 N O4 S Si - | - C64 H92 N4 O16 S4 Si4 - | 4 | 1 | KH1145 | White, Jonathan M.; Green, Alison J. | <i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1084 | 1086 | 10.1107/S0108270197003521 | 1.5418 | CuKα | 0.0688 | 0.0504 | null | 0.1463 | 0.1307 | null | null | null | 1.049 | 1.087 | 1.087 | null | null | null | has coordinates | White, Jonathan M.; Green, Alison J.
<i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate
Acta Crystallographica Section C
53(8)
(1997)
1084-1086 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006411.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,412 | 9.079 | 0.001 | 10.188 | 0.002 | 14.92 | 0.002 | 74.49 | 0.01 | 80 | 0.01 | 83.13 | 0.01 | 1,305.7 | 0.3 | 289 | 2 | 289 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 5,8-di(4-methoxy-2,3,6-trimethylbenzenesulphonyl)-1,4-dioxa-5,8-diazaocane | - C24 H34 N2 O8 S2 - | - C24 H34 N2 O8 S2 - | - C48 H68 N4 O16 S4 - | 2 | 1 | MU1298 | Van Meervelt, Luc; Kong Thoo Lin, Paul | 5,8-Bis(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-1,4-dioxa-5,8-diazocane | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1131 | 1133 | 10.1107/S0108270197003806 | 1.54178 | CuKα | 0.0604 | 0.058 | null | 0.1652 | 0.1628 | null | null | null | 1.061 | 1.094 | 1.094 | null | null | null | has coordinates,has Fobs | Van Meervelt, Luc; Kong Thoo Lin, Paul
5,8-Bis(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-1,4-dioxa-5,8-diazocane
Acta Crystallographica Section C
53(8)
(1997)
1131-1133 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006412.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,204 | 12.7413 | 0.0004 | 17.5056 | 0.0008 | 17.1978 | 0.0006 | 90 | null | 108.632 | 0.004 | 90 | null | 3,634.8 | 0.3 | 293 | 2 | 293 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | <i>N</i>-Methyl-4-(4-pivalamidophenylsulfanyl)picolinamide hemihydrate | 4-{[4-(2,2-dimethylpropanamido)phenyl]sulfanyl}-<i>N</i>-methylpyridine- 2-carboxamide hemihydrate | - C36 H44 N6 O5 S2 - | - C18 H22 N3 O2.5 S - | - C144 H176 N24 O20 S8 - | 8 | 1 | ZQ2092 | Ye, Ting-Hong; Huang, Ting-Ting; Shi, Yao-Jie; Xiong, Ying; Yu, Luo-Ting | <i>N</i>-Methyl-4-(4-pivalamidophenylsulfanyl)picolinamide hemihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1098 | 10.1107/S1600536811012268 | 0.7107 | MoKα | 0.0614 | 0.0401 | null | null | 0.106 | 0.1108 | null | null | null | null | null | 0.964 | null | null | has coordinates,has Fobs | Ye, Ting-Hong; Huang, Ting-Ting; Shi, Yao-Jie; Xiong, Ying; Yu, Luo-Ting
<i>N</i>-Methyl-4-(4-pivalamidophenylsulfanyl)picolinamide hemihydrate
Acta Crystallographica Section E
67(5)
(2011)
o1098 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230204.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,413 | 14.251 | 0.005 | 11.548 | 0.005 | 14.28 | 0.007 | 90 | null | 99.89 | 0.03 | 90 | null | 2,315.1 | 1.7 | 193 | 1 | 193 | 1 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | trans-Tetrachloro-[4-(2-(phenylamino)pyridinium)butoxo-O] (tetrahydrofuran-O)zirconium(IV) | - C19 H26 Cl4 N2 O2 Zr - | - C19 H26 Cl4 N2 O2 Zr - | - C76 H104 Cl16 N8 O8 Zr4 - | 4 | 1 | MU1299 | Polamo, Mika; Mutikainen, Ilpo; Leskelä, Markku | A Tetrahydrofuran Ring-Opening Product: <i>trans</i>-Tetrachloro{4-[2-(phenylamino)pyridinio]butoxido-<i>O</i>}(tetrahydrofuran-<i>O</i>)zirconium(IV) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1036 | 1037 | 10.1107/S0108270197003818 | 0.71073 | MoKα | 0.0609 | 0.0435 | null | 0.1057 | 0.0994 | null | null | null | 1.079 | 1.162 | 1.162 | null | null | null | has coordinates | Polamo, Mika; Mutikainen, Ilpo; Leskelä, Markku
A Tetrahydrofuran Ring-Opening Product: <i>trans</i>-Tetrachloro{4-[2-(phenylamino)pyridinio]butoxido-<i>O</i>}(tetrahydrofuran-<i>O</i>)zirconium(IV)
Acta Crystallographica Section C
53(8)
(1997)
1036-1037 | 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/2/00/64/2006413.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,414 | 11.189 | 0.002 | 13.416 | 0.003 | 19.409 | 0.004 | 90 | 0.02 | 120.73 | 0.02 | 90 | 0.02 | 2,504.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | tris(8-hydroxyquinolinate)iron(III) ethanol solvate | - C29 H24 Fe N3 O4 - | - C29 H24 Fe N3 O4 - | - C116 H96 Fe4 N12 O16 - | 4 | 1 | MU1310 | Pech, Lucija; Bankovsky, Yurii A.; Kemme, Andrejs; Lejejs, Janis | Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1043 | 1045 | 10.1107/S0108270197003831 | 0.71069 | MoKα | 0.081 | 0.062 | null | 0.156 | 0.141 | null | null | null | 0.944 | 0.972 | 0.972 | null | null | null | has coordinates | Pech, Lucija; Bankovsky, Yurii A.; Kemme, Andrejs; Lejejs, Janis
Tris(8-hydroxyquinolinato)iron(III) Ethanol Solvate
Acta Crystallographica Section C
53(8)
(1997)
1043-1045 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$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/2/00/64/2006414.cif $
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2,006,415 | 7.522 | 0.002 | 8.663 | 0.002 | 11.349 | 0.002 | 72.61 | 0.03 | 78.96 | 0.03 | 87.31 | 0.03 | 692.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H16 Ge I2 N8 - | - C32 H16 Ge I2 N8 - | - C32 H16 Ge I2 N8 - | 1 | 0.5 | MU1316 | Ejsmont, Krzysztof; Kubiak, Ryszard | Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1051 | 1054 | 10.1107/S0108270197004836 | 0.71073 | MoKα | 0.0761 | 0.0376 | null | 0.0916 | 0.0827 | null | null | null | 1.055 | 1.165 | 1.165 | null | null | null | has coordinates | Ejsmont, Krzysztof; Kubiak, Ryszard
Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)
Acta Crystallographica Section C
53(8)
(1997)
1051-1054 | 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/2/00/64/2006415.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,416 | 7.618 | 0.002 | 8.551 | 0.002 | 11.602 | 0.002 | 73.34 | 0.03 | 77.2 | 0.03 | 87.05 | 0.03 | 706 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H16 I2 N8 Sn - | - C32 H16 I2 N8 Sn - | - C32 H16 I2 N8 Sn - | 1 | 0.5 | MU1316 | Ejsmont, Krzysztof; Kubiak, Ryszard | Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1051 | 1054 | 10.1107/S0108270197004836 | 0.71073 | MoKα | 0.0436 | 0.03 | null | 0.0789 | 0.074 | null | null | null | 1.039 | 1.083 | 1.083 | null | null | null | has coordinates | Ejsmont, Krzysztof; Kubiak, Ryszard
Isostructural Complexes of Diiodo(phthalocyaninato)germanium(IV) and Diiodo(phthalocyaninato)tin(IV)
Acta Crystallographica Section C
53(8)
(1997)
1051-1054 | 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/2/00/64/2006416.cif $
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2,230,203 | 5.3136 | 0.0003 | 6.7551 | 0.0003 | 23.3958 | 0.0011 | 90 | null | 90 | null | 90 | null | 839.77 | 0.07 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide | - C6 H9 N3 O3 - | - C6 H9 N3 O3 - | - C24 H36 N12 O12 - | 4 | 1 | ZL2366 | Chen, Xiao-na; Hu, Wen-hao; Li, Xiao-liu; Xu, Hua-dong | 3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1192 | 10.1107/S1600536811014413 | 0.71073 | MoKα | 0.0418 | 0.0387 | null | null | 0.1191 | 0.1229 | null | null | null | null | null | 1.17 | null | null | has coordinates,has Fobs | Chen, Xiao-na; Hu, Wen-hao; Li, Xiao-liu; Xu, Hua-dong
3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide
Acta Crystallographica Section E
67(5)
(2011)
o1192 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,417 | 16.382 | 0.0008 | 6.1648 | 0.0006 | 21.6676 | 0.0012 | 90 | null | 104.835 | 0.003 | 90 | null | 2,115.3 | 0.3 | 220 | 2 | 220 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2,3-Dihydro-3-phenyl-1H-isoindol-1-one | - C14 H11 N O - | - C14 H11 N O - | - C112 H88 N8 O8 - | 8 | 1 | MU1321 | McNab, Hamish; Parsons, Simon; Shannon, David A. | 2,3-Dihydro-3-phenyl-1<i>H</i>-isoindol-1-one at 220K | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1098 | 1099 | 10.1107/S0108270197004848 | 1.54184 | CuKα | 0.0454 | 0.0348 | null | 0.0944 | 0.0893 | null | null | null | 1.048 | 1.129 | 1.129 | null | null | null | has coordinates | McNab, Hamish; Parsons, Simon; Shannon, David A.
2,3-Dihydro-3-phenyl-1<i>H</i>-isoindol-1-one at 220K
Acta Crystallographica Section C
53(8)
(1997)
1098-1099 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,418 | 6.36 | 0.001 | 19.272 | 0.002 | 12.604 | 0.002 | 90 | null | 93.75 | 0.01 | 90 | null | 1,541.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N,N'-Diphenylguanidinium hydrogenselenite monohydrate | - C13 H17 N3 O4 Se - | - C13 H17 N3 O4 Se - | - C52 H68 N12 O16 Se4 - | 4 | 1 | NA1285 | Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Martín-Gil, J.; Martín-Gil, F.J. | <i>N</i>,<i>N</i>'-Diphenylguanidinium Hydrogenselenite Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1113 | 1115 | 10.1107/S0108270197004472 | 0.71073 | MoKα | 0.1156 | 0.0305 | null | 0.0813 | 0.062 | null | null | null | 1.06 | 1.083 | 1.083 | null | null | null | has coordinates | Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Martín-Gil, J.; Martín-Gil, F.J.
<i>N</i>,<i>N</i>'-Diphenylguanidinium Hydrogenselenite Monohydrate
Acta Crystallographica Section C
53(8)
(1997)
1113-1115 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,419 | 11.12 | 0.002 | 18.28 | 0.002 | 7.917 | 0.002 | 90 | null | 98.23 | 0.02 | 90 | null | 1,592.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 11-(2-chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-b]furan-6(11H)-one | - C20 H15 Cl O4 - | - C20 H15 Cl O4 - | - C80 H60 Cl4 O16 - | 4 | 1 | NA1287 | Cambie, Richard C.; Milbank, Jared B. J.; Rickard, Clifton E. F.; Rutledge, P. Stewart | 11-(2-Chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-<i>b</i>]furan-6(11<i>H</i>)-one | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1102 | 1103 | 10.1107/S0108270197004289 | 0.71069 | MoKα | 0.1177 | 0.0678 | null | 0.237 | 0.182 | null | null | null | 1.017 | 1.099 | 1.099 | null | null | null | has coordinates | Cambie, Richard C.; Milbank, Jared B. J.; Rickard, Clifton E. F.; Rutledge, P. Stewart
11-(2-Chloro-2-propenyl)-5,11-dihydroxy-2-methylanthra[1,2-<i>b</i>]furan-6(11<i>H</i>)-one
Acta Crystallographica Section C
53(8)
(1997)
1102-1103 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,420 | 14.394 | 0.003 | 5.33 | 0.002 | 10.962 | 0.003 | 90 | null | 99.88 | 0.02 | 90 | null | 828.5 | 0.4 | 292 | 1 | 19 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C4 H10 O6 Zn - | - C4 H10 O6 Zn - | - C16 H40 O24 Zn4 - | 4 | 0.5 | OA1020 | Ishioka, Tsutomu; Murata, Asami; Kitagawa, Yasuyuki; Nakamura, Kazuo T. | Zinc(II) Acetate Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1029 | 1031 | 10.1107/S0108270197004484 | 1.5418 | CuKα | null | 0.06 | null | null | 0.118 | null | null | null | null | 2.28 | 2.28 | null | null | null | has coordinates | Ishioka, Tsutomu; Murata, Asami; Kitagawa, Yasuyuki; Nakamura, Kazuo T.
Zinc(II) Acetate Dihydrate
Acta Crystallographica Section C
53(8)
(1997)
1029-1031 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,202 | 8.8532 | 0.0002 | 10.2011 | 0.0002 | 10.4752 | 0.0003 | 90.734 | 0.001 | 111.568 | 0.001 | 97.127 | 0.001 | 871.25 | 0.04 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 5-Cyclohexyl-2-methyl-3-phenylsulfinyl-1-benzofuran | - C21 H22 O2 S - | - C21 H22 O2 S - | - C42 H44 O4 S2 - | 2 | 1 | ZL2365 | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk | 5-Cyclohexyl-2-methyl-3-phenylsulfinyl-1-benzofuran | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1157 | 10.1107/S1600536811013705 | 0.71073 | MoKα | 0.0446 | 0.0385 | null | null | 0.1009 | 0.1058 | null | null | null | null | null | 1.067 | null | null | has coordinates,has Fobs | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
5-Cyclohexyl-2-methyl-3-phenylsulfinyl-1-benzofuran
Acta Crystallographica Section E
67(5)
(2011)
o1157 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,421 | 6.454 | 0.002 | 12.752 | 0.004 | 15.387 | 0.005 | 90 | null | 90 | null | 90 | null | 1,266.4 | 0.7 | 108 | 2 | null | null | null | null | null | null | 3 | I b a m | -I 2 2c | 72 | - Cs2 Mn3 Te4 - | - Cs2 Mn3 Te4 - | - Cs8 Mn12 Te16 - | 4 | 0.25 | OH1099 | Wu, Eric J.; Ibers, James A. | Cs~2~Mn~3~Te~4~ | Acta Crystallographica Section C | 1,997 | 53 | 8 | 993 | 994 | 10.1107/S010827019700098X | 0.71073 | MoKα | null | 0.0339 | null | null | 0.0815 | null | null | null | null | 1.266 | 1.266 | null | null | null | has coordinates | Wu, Eric J.; Ibers, James A.
Cs~2~Mn~3~Te~4~
Acta Crystallographica Section C
53(8)
(1997)
993-994 | 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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