file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,007,083 | 6.383 | 0.002 | 23.443 | 0.004 | 8.031 | 0.002 | 90 | null | 107.92 | 0.02 | 90 | null | 1,143.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (3aα,8aα)-6,9,9-Trichloro-2,3,5,8-tetrahydro-1H,4H-3a,8a-methanoazulen-5-one | - C11 H11 Cl3 O - | - C11 H11 Cl3 O - | - C44 H44 Cl12 O4 - | 4 | 1 | HA1196 | Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R. | A <i>gem</i>-Dichloro[4.3.1]propellane and a <i>gem</i>-Dichloro[5.3.1]propellenone | Acta Crystallographica Section C | 1,998 | 54 | 3 | 378 | 380 | 10.1107/S0108270197014893 | 1.5418 | CuKα | 0.059 | 0.042 | null | 0.211 | 0.188 | null | null | null | 0.91 | 1.052 | 1.052 | null | null | null | has coordinates | Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.
A <i>gem</i>-Dichloro[4.3.1]propellane and a <i>gem</i>-Dichloro[5.3.1]propellenone
Acta Crystallographica Section C
54(3)
(1998)
378-380 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007083.cif $
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2,230,081 | 7.4318 | 0.0015 | 17.795 | 0.004 | 14.367 | 0.003 | 90 | null | 100.408 | 0.004 | 90 | null | 1,868.8 | 0.7 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Ferrocenyl(methyl)diphenylsilane | - C23 H22 Fe Si - | - C23 H22 Fe Si - | - C92 H88 Fe4 Si4 - | 4 | 1 | MW2007 | Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie | Ferrocenyl(methyl)diphenylsilane | Acta Crystallographica Section E | 2,011 | 67 | 5 | m636 | 10.1107/S1600536811014796 | 0.71073 | MoKα | 0.0546 | 0.0493 | null | null | 0.103 | 0.1054 | null | null | null | null | null | 1.182 | null | null | has coordinates,has Fobs | Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie
Ferrocenyl(methyl)diphenylsilane
Acta Crystallographica Section E
67(5)
(2011)
m636 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
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2,007,084 | 10.756 | 0.002 | 7.069 | 0.001 | 10.16 | 0.002 | 90 | null | 91.9 | 0.03 | 90 | null | 772.1 | 0.2 | 295 | 0.1 | 295 | 0.1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,6-Bis(3,5-dioxopiperazine-1-yl)hexane | - C14 H22 N4 O4 - | - C14 H22 N4 O4 - | - C28 H44 N8 O8 - | 2 | 0.5 | HA1201 | Liu, Q.; Zhang, S.-W.; Shao, M.-C. | Anticancer Agents. III. 4,4'-(Hexane-1,6-diyl)bis(piperazine-2,6-dione) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 439 | 440 | 10.1107/S0108270197014844 | 0.71073 | MoKα | 0.087 | 0.058 | null | 0.103 | 0.053 | null | null | null | null | 0.62 | 0.62 | null | null | null | has coordinates | Liu, Q.; Zhang, S.-W.; Shao, M.-C.
Anticancer Agents. III. 4,4'-(Hexane-1,6-diyl)bis(piperazine-2,6-dione)
Acta Crystallographica Section C
54(3)
(1998)
439-440 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007084.cif $
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2,007,085 | 9.253 | 0.008 | 12.88 | 0.02 | 12.455 | 0.01 | 90 | null | 109.69 | 0.07 | 90 | null | 1,398 | 3 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C12 H24 Br4 I2 Pd S6 - | - C12 H24 Br4 I2 Pd S6 - | - C24 H48 Br8 I4 Pd2 S12 - | 2 | 0.5 | HA1202 | Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin | Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions | Acta Crystallographica Section C | 1,998 | 54 | 3 | 295 | 298 | 10.1107/S0108270197014212 | 0.71073 | MoKα | 0.1236 | 0.0935 | null | null | null | 0.2882 | null | null | null | null | null | 1.065 | null | null | has coordinates | Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin
Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions
Acta Crystallographica Section C
54(3)
(1998)
295-298 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,086 | 14.651 | 0.002 | 9.3117 | 0.0007 | 16.7648 | 0.0011 | 90 | null | 93.468 | 0.01 | 90 | null | 2,283 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | I 1 2/a 1 | -I 2ya | 15 | - C10 H20 Br4 I2 Pd S4 - | - C10 H20 Br4 I2 Pd S4 - | - C40 H80 Br16 I8 Pd4 S16 - | 4 | 0.5 | HA1202 | Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin | Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions | Acta Crystallographica Section C | 1,998 | 54 | 3 | 295 | 298 | 10.1107/S0108270197014212 | 0.71073 | MoKα | 0.0523 | 0.0392 | null | 0.1102 | 0.0903 | null | null | null | 1.055 | 1.053 | 1.053 | null | null | null | has coordinates | Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin
Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions
Acta Crystallographica Section C
54(3)
(1998)
295-298 | 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/2/00/70/2007086.cif $
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2,230,080 | 9.0456 | 0.0002 | 10.1996 | 0.0002 | 10.4216 | 0.0002 | 89.915 | 0.001 | 70.461 | 0.001 | 83.775 | 0.001 | 900.18 | 0.03 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 5-Cyclohexyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran | - C21 H21 F O3 S - | - C21 H21 F O3 S - | - C42 H42 F2 O6 S2 - | 2 | 1 | MW2005 | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk | 5-Cyclohexyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1053 | 10.1107/S1600536811011767 | 0.71073 | MoKα | 0.0462 | 0.0414 | null | null | 0.1057 | 0.1094 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
5-Cyclohexyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran
Acta Crystallographica Section E
67(5)
(2011)
o1053 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230080.cif $
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2,007,087 | 16.885 | 0.006 | 18.689 | 0.004 | 9.452 | 0.003 | 90 | null | 94.05 | 0.05 | 90 | null | 2,975.3 | 1.6 | 150 | null | 150 | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | - C15 H32 I6 N6 Ni - | - C15 H32 I6 N6 Ni - | - C60 H128 I24 N24 Ni4 - | 4 | 1 | HA1203 | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin | Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 299 | 302 | 10.1107/S0108270197014200 | 0.71073 | MoKα | 0.0429 | 0.0377 | null | null | null | 0.0948 | null | null | null | null | null | 1.131 | null | null | has coordinates | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin
Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)
Acta Crystallographica Section C
54(3)
(1998)
299-302 | 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/2/00/70/2007087.cif $
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2,007,088 | 7.787 | 0.007 | 9.173 | 0.009 | 9.382 | 0.006 | 99.03 | 0.09 | 101.14 | 0.09 | 107.43 | 0.1 | 610.6 | 1.1 | 150 | null | 150 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C11 H26 I6 N4 Pd - | - C11 H22 I6 N4 Pd - | - C11 H22 I6 N4 Pd - | 1 | 0.5 | HA1203 | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin | Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 299 | 302 | 10.1107/S0108270197014200 | 0.71073 | MoKα | 0.061 | 0.0503 | null | 0.1133 | 0.1044 | null | null | null | 1.154 | 1.145 | 1.145 | null | null | null | has coordinates,has disorder | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin
Bis(acetonitrile-<i>N</i>)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)
Acta Crystallographica Section C
54(3)
(1998)
299-302 | 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/2/00/70/2007088.cif $
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2,007,089 | 7.597 | 0.002 | 7.422 | 0.001 | 9.466 | 0.002 | 90 | null | 95.47 | 0.03 | 90 | null | 531.31 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | α-vanadium(IV) hydrogenphosphat dihydrat | α-oxovanadium(IV)hydrogen phosphate dihydrate | - H5 O7 P V - | - H5 O7 P V - | - H20 O28 P4 V4 - | 4 | 1 | JZ1223 | Horst Worzala; Goetze, Thomas; Fratzky, Dietmar; Manfred Meisel | Redetermination of Monoclinic VOHPO~4~.2H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 3 | 283 | 285 | 10.1107/S0108270197014017 | 0.71073 | MoKα | 0.0213 | 0.0178 | null | 0.0464 | null | 0.0464 | null | null | 1.119 | null | null | 1.119 | null | null | has coordinates | Horst Worzala; Goetze, Thomas; Fratzky, Dietmar; Manfred Meisel
Redetermination of Monoclinic VOHPO~4~.2H~2~O
Acta Crystallographica Section C
54(3)
(1998)
283-285 | 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/2/00/70/2007089.cif $
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2,007,090 | 11.708 | 0.002 | 8.991 | 0.002 | 14.994 | 0.002 | 90 | null | 106.46 | 0.01 | 90 | null | 1,513.7 | 0.5 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H12 Mn N2 O6 - | - C12 H12 Mn N2 O6 - | - C48 H48 Mn4 N8 O24 - | 4 | 1 | JZ1229 | Okabe, Nobuo; Koizumi, Makiko | Diaquabis(2-pyridinecarboxylato-<i>N</i>,<i>O</i>)manganese(II) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 288 | 290 | 10.1107/S0108270197016326 | 0.71069 | MoKα | null | 0.036 | null | null | 0.046 | null | null | null | null | 1.76 | 1.76 | null | null | null | has coordinates | Okabe, Nobuo; Koizumi, Makiko
Diaquabis(2-pyridinecarboxylato-<i>N</i>,<i>O</i>)manganese(II)
Acta Crystallographica Section C
54(3)
(1998)
288-290 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007090.cif $
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2,230,079 | 4.5114 | 0.0001 | 10.8637 | 0.0002 | 28.0865 | 0.0003 | 90 | null | 92.414 | 0.001 | 90 | null | 1,375.31 | 0.04 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-(7-Methoxy-β-carbolin-1-yl)propionic acid monohydrate | 3-(7-methoxy-9<i>H</i>-pyrido[3,4-<i>b</i>]indol-1-yl)propanoic acid monohydrate | - C15 H16 N2 O4 - | - C15 H16 N2 O4 - | - C60 H64 N8 O16 - | 4 | 1 | MW2003 | Dai, Dong-Mei; Zhong, Jia-Liang; An, Hui-Mei; Zou, Jian-Wei | 3-(7-Methoxy-β-carbolin-1-yl)propionic acid monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1167 | 10.1107/S160053681101350X | 1.54178 | CuKα | 0.0455 | 0.0388 | null | null | 0.1081 | 0.1156 | null | null | null | null | null | 1.047 | null | null | has coordinates,has Fobs | Dai, Dong-Mei; Zhong, Jia-Liang; An, Hui-Mei; Zou, Jian-Wei
3-(7-Methoxy-β-carbolin-1-yl)propionic acid monohydrate
Acta Crystallographica Section E
67(5)
(2011)
o1167 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230079.cif $
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2,007,091 | 6.7233 | 0.0008 | 8.8573 | 0.0008 | 17.0033 | 0.0012 | 99.151 | 0.008 | 94.253 | 0.01 | 92.019 | 0.007 | 995.77 | 0.17 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4,4'-Trimethylenedipyridinium (1+) 1,3,5-benzenetricarboxylate (1-) | - C22 H20 N2 O6 - | - C22 H20 N2 O6 - | - C44 H40 N4 O12 - | 2 | 1 | JZ1242 | Ferguson, George; Glidewell, Christopher; McManus, Gordon D.; Meehan, Paul R. | A Perforated Molecular Tape in the 1:1 Salt of 4,4'-Trimethylenedipyridine and 1,3,5-Benzenetricarboxylic acid | Acta Crystallographica Section C | 1,998 | 54 | 3 | 418 | 421 | 10.1107/S0108270197012110 | 0.7107 | MolybdenumKα | 0.0968 | 0.0509 | null | null | null | 0.1227 | null | null | null | null | null | 1.028 | null | null | has coordinates | Ferguson, George; Glidewell, Christopher; McManus, Gordon D.; Meehan, Paul R.
A Perforated Molecular Tape in the 1:1 Salt of 4,4'-Trimethylenedipyridine and 1,3,5-Benzenetricarboxylic acid
Acta Crystallographica Section C
54(3)
(1998)
418-421 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007091.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,092 | 7.9688 | 0.0009 | 9.9716 | 0.001 | 17.2571 | 0.0013 | 90 | null | 98.592 | 0.009 | 90 | null | 1,355.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Dimeric (imidazole)(N-salicylidene-R,S-alaninato)copper(II) | - C13 H13 Cu N3 O3 - | - C13 H13 Cu N3 O3 - | - C52 H52 Cu4 N12 O12 - | 4 | 1 | JZ1251 | Warda, Salam A. | Dimeric (Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-<i>rac</i>-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 304 | 306 | 10.1107/S0108270197014856 | 0.71073 | MoKα | 0.0675 | 0.0413 | null | null | null | 0.0969 | null | null | null | null | null | 1.029 | null | null | has coordinates | Warda, Salam A.
Dimeric (Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-<i>rac</i>-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C
54(3)
(1998)
304-306 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007092.cif $
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2,007,093 | 7.775 | 0.0005 | 8.1044 | 0.0007 | 11.624 | 0.0009 | 70.474 | 0.008 | 81 | 0.008 | 89.478 | 0.008 | 681.09 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | μ, μ'-Pyrazine-bis(N-salicylidene-R,S-alaninato-copper(II)) tetrahydrate | - C24 H30 Cu2 N4 O10 - | - C24 H30 Cu2 N4 O10 - | - C24 H30 Cu2 N4 O10 - | 1 | 0.5 | JZ1252 | Warda, Salam A. | Polymeric μ,μ'-Pyrazine-<i>N</i>,<i>N</i>'-bis(<i>N</i>-salicylidene-<i>R</i>,<i>S</i>-alaninato)copper(II) Tetrahydrate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 302 | 304 | 10.1107/S0108270197015783 | 0.71073 | MoKα | null | 0.0366 | null | null | null | 0.0821 | null | null | null | null | null | 1.017 | null | null | has coordinates | Warda, Salam A.
Polymeric μ,μ'-Pyrazine-<i>N</i>,<i>N</i>'-bis(<i>N</i>-salicylidene-<i>R</i>,<i>S</i>-alaninato)copper(II) Tetrahydrate
Acta Crystallographica Section C
54(3)
(1998)
302-304 | 249,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-27 12:18:32 +0200 (Fri, 27 Mar 2020) $
#$Revision: 249787 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/70/2007093.cif $
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2,007,094 | 11.801 | 0.002 | 13.206 | 0.003 | 21.697 | 0.004 | 90 | null | 103.144 | 0.015 | 90 | null | 3,292.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | cis-Bis[(2-Diphenylphosphinoethyl)dimethylstannyl]platinum(II) | - C32 H40 P2 Pt Sn2 - | - C32 H40 P2 Pt Sn2 - | - C128 H160 P8 Pt4 Sn8 - | 4 | 1 | JZ1255 | Baumeister, Ute; Hartung, Helmut; Schulz, Torsten; Weichmann, Horst | <i>cis</i>-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 333 | 335 | 10.1107/S0108270197014029 | 0.71073 | MoKα | 0.0411 | 0.0285 | null | 0.0712 | 0.0673 | null | null | null | 1.085 | 1.138 | 1.138 | null | null | null | has coordinates,has Fobs | Baumeister, Ute; Hartung, Helmut; Schulz, Torsten; Weichmann, Horst
<i>cis</i>-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II)
Acta Crystallographica Section C
54(3)
(1998)
333-335 | 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/2/00/70/2007094.cif $
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2,007,095 | 6.781 | 0.001 | 15.53 | 0.003 | 21.179 | 0.004 | 90 | null | 90 | null | 90 | null | 2,230.3 | 0.7 | 133 | 2 | 133 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2-Cyclohexyl-16'α,17'α-dihydro-3'-methoxy-4H-estra-1',3',5'(10'),16'- tetraeno[16',17'-e][1,3]oxazine | - C27 H37 N O2 - | - C27 H37 N O2 - | - C108 H148 N4 O8 - | 4 | 1 | KA1249 | Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias | A Steroidal Dihydro-1,3-oxazine Derivative | Acta Crystallographica Section C | 1,998 | 54 | 3 | 372 | 373 | 10.1107/S0108270197016338 | 0.71073 | MoKα | 0.046 | 0.04 | null | null | null | 0.099 | null | null | null | null | null | 1.116 | null | null | has coordinates | Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias
A Steroidal Dihydro-1,3-oxazine Derivative
Acta Crystallographica Section C
54(3)
(1998)
372-373 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,096 | 6.4376 | 0.0008 | 9.744 | 0.0009 | 10.8177 | 0.001 | 92.328 | 0.008 | 96.772 | 0.011 | 99.011 | 0.011 | 664.31 | 0.12 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Tetramethylsulfate | 1,3,2-Dioxathiepane, 2,2-dioxide | - C4 H8 O4 S - | - C4 H8 O4 S - | - C16 H32 O16 S4 - | 4 | 2 | KA1250 | Krüger, Carl; Kessler, Magnus; Six, Christian; Leitner, Walter | A Cyclic Sulfate with a Seven-Membered Ring: 1,3,2-Dioxathiepane 2,2-Dioxide | Acta Crystallographica Section C | 1,998 | 54 | 3 | 389 | 390 | 10.1107/S010827019701634X | 0.71069 | MoKα | 0.081 | 0.042 | null | 0.115 | 0.096 | null | null | null | 1.019 | 1.047 | 1.047 | null | null | null | has coordinates | Krüger, Carl; Kessler, Magnus; Six, Christian; Leitner, Walter
A Cyclic Sulfate with a Seven-Membered Ring: 1,3,2-Dioxathiepane 2,2-Dioxide
Acta Crystallographica Section C
54(3)
(1998)
389-390 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,230,078 | 5.991 | 0.001 | 8.958 | 0.001 | 17.531 | 0.002 | 99.502 | 0.011 | 95.241 | 0.012 | 105.499 | 0.01 | 885.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate | - C19 H17 Br N2 O3 - | - C19 H17 Br N2 O3 - | - C38 H34 Br2 N4 O6 - | 2 | 1 | LW2061 | Bortoluzzi, Adailton J.; Souza, Luciana B. P.; Joussef, Antônio C.; Meyer, Emerson | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1230 | o1231 | 10.1107/S160053681101467X | 0.71069 | MoKα | 0.0999 | 0.0377 | null | null | 0.0836 | 0.0981 | null | null | null | null | null | 1.026 | null | null | has coordinates,has disorder,has Fobs | Bortoluzzi, Adailton J.; Souza, Luciana B. P.; Joussef, Antônio C.; Meyer, Emerson
Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate
Acta Crystallographica Section E
67(5)
(2011)
o1230-o1231 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,097 | 8.955 | 0.004 | 9.702 | 0.005 | 14.003 | 0.005 | 84.72 | 0.03 | 85 | 0.03 | 68.74 | 0.03 | 1,127.1 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | (Isocyanato)bis(2,2'-bipyridine)copper(II) Tricyanomethanide | - C25 H16 Cu N8 O - | - C25 H16 Cu N8 O - | - C50 H32 Cu2 N16 O2 - | 2 | 1 | KA1256 | Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar | Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isocyanato-<i>N</i>)copper(II) Tricyanomethanide | Acta Crystallographica Section C | 1,998 | 54 | 3 | 313 | 315 | 10.1107/S0108270197014510 | 0.71073 | MoKα | 0.163 | 0.033 | null | 0.1 | null | 0.07 | null | null | 0.583 | null | null | 0.691 | null | null | has coordinates | Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Jäger, Lothar
Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')(isocyanato-<i>N</i>)copper(II) Tricyanomethanide
Acta Crystallographica Section C
54(3)
(1998)
313-315 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,098 | 8.5162 | 0.0012 | 8.8856 | 0.0014 | 16.625 | 0.002 | 81.103 | 0.011 | 82.321 | 0.014 | 71.925 | 0.011 | 1,176.6 | 0.3 | 133 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C14 H14 O2 - | - C14 H14 O2 - | - C56 H56 O8 - | 4 | 2 | KA1257 | Bats, Jan W.; Hashmi, A. Stephen K. | <i>meso</i>-1-[3-(1-Hydroxy-3-butynyl)phenyl]-3-butyn-1-ol | Acta Crystallographica Section C | 1,998 | 54 | 3 | 376 | 378 | 10.1107/S0108270197016351 | 0.71073 | MoKα | null | 0.06 | null | null | 0.074 | null | null | null | null | 2.585 | 2.585 | null | null | null | has coordinates | Bats, Jan W.; Hashmi, A. Stephen K.
<i>meso</i>-1-[3-(1-Hydroxy-3-butynyl)phenyl]-3-butyn-1-ol
Acta Crystallographica Section C
54(3)
(1998)
376-378 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,099 | 9.3972 | 0.0001 | 12.3917 | 0.0001 | 13.7857 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,605.31 | 0.03 | 173 | null | 173 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Bromohydridomethyl-bis-(4-Methylpyridinium)-siliciumbromid | - C13 H18 Br2 N2 Si - | - C13 H18 Br2 N2 Si - | - C52 H72 Br8 N8 Si4 - | 4 | 1 | KA1258 | Hensen, Karl; Kettner, Markus; Bolte, Michael | Bromo(hydrido)methylbis(4-methylpyridine-<i>N</i>)silicon Bromide at 173K | Acta Crystallographica Section C | 1,998 | 54 | 3 | 358 | 359 | 10.1107/S0108270197015801 | 0.71073 | MoKα | 0.033 | 0.024 | null | 0.043 | 0.042 | null | null | null | 1.001 | 1.033 | 1.033 | null | null | null | has coordinates,has Fobs | Hensen, Karl; Kettner, Markus; Bolte, Michael
Bromo(hydrido)methylbis(4-methylpyridine-<i>N</i>)silicon Bromide at 173K
Acta Crystallographica Section C
54(3)
(1998)
358-359 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,100 | 12.9274 | 0.0001 | 10.7353 | 0.0001 | 20.1194 | 0.0002 | 90 | null | 92.849 | 0.001 | 90 | null | 2,788.71 | 0.04 | 143 | null | 143 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H25 Cl N6 - | - C36 H25 Cl N6 - | - C144 H100 Cl4 N24 - | 4 | 1 | KA1259 | Hensen, Karl; Gebhardt, Frank; Bolte, Michael | 1,10-Phenanthrolin-1-ium Chloride Bis(1,10-phenanthroline) Solvate at 143K | Acta Crystallographica Section C | 1,998 | 54 | 3 | 359 | 361 | 10.1107/S0108270197016363 | 0.71073 | MoKα | 0.0963 | 0.0539 | null | 0.1212 | 0.1053 | null | null | null | 1.063 | 1.146 | 1.146 | null | null | null | has coordinates | Hensen, Karl; Gebhardt, Frank; Bolte, Michael
1,10-Phenanthrolin-1-ium Chloride Bis(1,10-phenanthroline) Solvate at 143K
Acta Crystallographica Section C
54(3)
(1998)
359-361 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,077 | 7.5538 | 0.0004 | 8.0896 | 0.0004 | 13.041 | 0.0006 | 90 | null | 115.364 | 0.003 | 90 | null | 720.08 | 0.06 | 200 | 2 | 200 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4-Chromanone | 2<i>H</i>-Chromen-4(3<i>H</i>)-one | - C9 H8 O2 - | - C9 H8 O2 - | - C36 H32 O8 - | 4 | 1 | LW2060 | Betz, Richard; McCleland, Cedric; Marchand, Harold | 2<i>H</i>-Chromen-4(3<i>H</i>)-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1151 | 10.1107/S1600536811013535 | 0.71073 | MoKα | 0.0407 | 0.0371 | null | null | 0.1035 | 0.1069 | null | null | null | null | null | 1.054 | null | null | has coordinates,has Fobs | Betz, Richard; McCleland, Cedric; Marchand, Harold
2<i>H</i>-Chromen-4(3<i>H</i>)-one
Acta Crystallographica Section E
67(5)
(2011)
o1151 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,007,101 | 26.094 | 0.004 | 9.717 | 0.002 | 6.325 | 0.002 | 90 | null | 90 | null | 90 | null | 1,603.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (3R)-4,5-dihydro-4,4-dimethyl-3(1H)-2-oxofuran-3-yl(2S)-2-(2,3-dihydro -1,4-benzodioxin-6-yl)propionate | - C17 H18 O6 - | - C17 H18 O6 - | - C68 H72 O24 - | 4 | 1 | LN1022 | M. Teresa Vázquez,; M. Dolors Pujol; Xavier Solans | (3<i>S</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (2<i>S</i>)-2-(1,4-Benzodioxin-6-yl)propionate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 428 | 430 | 10.1107/S0108270197015618 | 0.71069 | MoKα | 0.0872 | 0.0491 | null | 0.1593 | 0.1086 | null | null | null | 0.949 | 1.104 | 1.104 | null | null | null | has coordinates,has disorder | M. Teresa Vázquez,; M. Dolors Pujol; Xavier Solans
(3<i>S</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (2<i>S</i>)-2-(1,4-Benzodioxin-6-yl)propionate
Acta Crystallographica Section C
54(3)
(1998)
428-430 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,102 | 8.897 | 0.002 | 11.242 | 0.004 | 17.13 | 0.02 | 104.46 | 0.02 | 93.79 | 0.02 | 90.3 | 0.02 | 1,655 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Piperazinium (2,6-dichlorophenylamino)phenylacetate dihydrate | - C32 H36 Cl4 N4 O6 - | - C32 H36 Cl4 N4 O6 - | - C64 H72 Cl8 N8 O12 - | 2 | 1 | LN1032 | Carlo Castellari; Stefano Ottani | Stereochemistry of Anti-Inflammatory Drugs. VI. Piperazinium 2-(2,6-Dichlorophenylamino)phenylacetate Dihydrate, (H~2~PZ)<i>D</i>~2~.2H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 3 | 415 | 417 | 10.1107/S010827019701490X | 0.71069 | MoKα | 0.1017 | 0.0409 | null | 0.1154 | 0.0913 | null | null | null | 1.012 | 1.089 | 1.089 | null | null | null | has coordinates | Carlo Castellari; Stefano Ottani
Stereochemistry of Anti-Inflammatory Drugs. VI. Piperazinium 2-(2,6-Dichlorophenylamino)phenylacetate Dihydrate, (H~2~PZ)<i>D</i>~2~.2H~2~O
Acta Crystallographica Section C
54(3)
(1998)
415-417 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,103 | 10.153 | 0.003 | 12.228 | 0.003 | 14.166 | 0.003 | 100.284 | 0.014 | 98.644 | 0.011 | 112.866 | 0.01 | 1,547 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C32 H30 B F4 N7 O3 Zn - | - C32 H30 B F4 N7 O3 Zn - | - C64 H60 B2 F8 N14 O6 Zn2 - | 2 | 1 | MU1311 | Fenton, David E.; Adams, Harry; He, Qing-Yu | (Benzoato-<i>O</i>){tris[(2-benzimidazolyl-<i>N</i>^3^)methyl]amine-<i>N</i>}zinc(II) Tetrafluoroborate Methanol Solvate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 286 | 287 | 10.1107/S0108270197015941 | 0.71073 | MoKα | 0.0723 | 0.0567 | null | 0.1528 | 0.1475 | null | null | null | 0.986 | 1.125 | 1.125 | null | null | null | has coordinates,has disorder | Fenton, David E.; Adams, Harry; He, Qing-Yu
(Benzoato-<i>O</i>){tris[(2-benzimidazolyl-<i>N</i>^3^)methyl]amine-<i>N</i>}zinc(II) Tetrafluoroborate Methanol Solvate
Acta Crystallographica Section C
54(3)
(1998)
286-287 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,104 | 10.441 | 0.001 | 10.772 | 0.001 | 11.079 | 0.001 | 87.95 | 0.01 | 75.16 | 0.01 | 62.9 | 0.01 | 1,067.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 1-(3,4-dichloro)phenyl-4-(2-thiophenyl)-5,5-dicarbethoxy pyrrolidine-2-one | - C20 H19 Cl2 N O5 S - | - C20 H19 Cl2 N O5 S - | - C40 H38 Cl4 N2 O10 S2 - | 2 | 1 | MU1338 | Ray, Jayanta Kumar; Chakraborty, Arindam; Adhikari, Sujit Das; Chinnakali, Kandasamy; Fun, Hoong-Kun | Diethyl 1-(3,4-Dichlorophenyl)-5-oxo-3-(2-thienyl)-2,2-pyrrolidinedicarboxylate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 368 | 370 | 10.1107/S0108270197016715 | 0.71073 | MoKα | 0.091 | 0.053 | null | 0.141 | 0.119 | null | null | null | 1.015 | 1.1 | 1.1 | null | null | null | has coordinates | Ray, Jayanta Kumar; Chakraborty, Arindam; Adhikari, Sujit Das; Chinnakali, Kandasamy; Fun, Hoong-Kun
Diethyl 1-(3,4-Dichlorophenyl)-5-oxo-3-(2-thienyl)-2,2-pyrrolidinedicarboxylate
Acta Crystallographica Section C
54(3)
(1998)
368-370 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,076 | 6.6992 | 0.0002 | 8.4654 | 0.0002 | 14.1065 | 0.0003 | 101.773 | 0.001 | 99.283 | 0.001 | 92.067 | 0.001 | 770.94 | 0.03 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 5-Bromo-3-cyclohexylsulfonyl-2,7-dimethyl-1-benzofuran | - C16 H19 Br O3 S - | - C16 H19 Br O3 S - | - C32 H38 Br2 O6 S2 - | 2 | 1 | LR2008 | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk | 5-Bromo-3-cyclohexylsulfonyl-2,7-dimethyl-1-benzofuran | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1279 | 10.1107/S160053681101539X | 0.71073 | MoKα | 0.0282 | 0.0248 | null | null | 0.0639 | 0.0655 | null | null | null | null | null | 1.102 | null | null | has coordinates,has Fobs | Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
5-Bromo-3-cyclohexylsulfonyl-2,7-dimethyl-1-benzofuran
Acta Crystallographica Section E
67(5)
(2011)
o1279 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,007,105 | 9.6642 | 0.0006 | 9.5221 | 0.0006 | 16.1965 | 0.0004 | 90 | null | 107.036 | 0.002 | 90 | null | 1,425.06 | 0.13 | 180 | 2 | 180 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Diacetonitrilediaquotrichloroerbium(III) Acetonitrile Solvate. | - C6 H13 Cl3 Er N3 O2 - | - C6 H13 Cl3 Er N3 O2 - | - C24 H52 Cl12 Er4 N12 O8 - | 4 | 1 | MU1345 | Errington, William; Spry, Marcus P.; Willey, Gerald R. | Bis(acetonitrile-<i>N</i>)diaquatrichloroerbium(III) Acetonitrile Solvate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 290 | 291 | 10.1107/S0108270197015163 | 0.71073 | MoKα | 0.034 | 0.024 | null | 0.052 | 0.05 | null | null | null | 0.985 | 1.023 | 1.023 | null | null | null | has coordinates,has Fobs | Errington, William; Spry, Marcus P.; Willey, Gerald R.
Bis(acetonitrile-<i>N</i>)diaquatrichloroerbium(III) Acetonitrile Solvate
Acta Crystallographica Section C
54(3)
(1998)
290-291 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,106 | 8.082 | 0.002 | 12.554 | 0.002 | 16.724 | 0.005 | 74.02 | 0.02 | 85.21 | 0.03 | 89.39 | 0.02 | 1,625.4 | 0.7 | 295.2 | null | 295.2 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H16 Cl2 N P Pd - | - C14 H16 Cl2 N P Pd - | - C56 H64 Cl8 N4 P4 Pd4 - | 4 | 2 | MU1349 | Spicer, Mark D. | <i>cis</i>-Dichloro(2-diphenylphosphinoethylamine-<i>N</i>,<i>P</i>)palladium(II) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 308 | 310 | 10.1107/S0108270197016752 | 0.71069 | MoKα | 0.065 | 0.042 | null | 0.039 | 0.036 | null | null | null | null | 1.117 | 1.117 | null | null | null | has coordinates | Spicer, Mark D.
<i>cis</i>-Dichloro(2-diphenylphosphinoethylamine-<i>N</i>,<i>P</i>)palladium(II)
Acta Crystallographica Section C
54(3)
(1998)
308-310 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,007,107 | 5.8839 | 0.0011 | 9.104 | 0.002 | 9.205 | 0.002 | 92.6 | 0.02 | 101.697 | 0.015 | 107.608 | 0.014 | 457.21 | 0.17 | 293 | null | 293 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | trans-Diperchlorato-bis(pyridine-2-carboxamide-N',O)copper(II) | - C12 H12 Cl2 Cu N4 O10 - | - C12 H12 Cl2 Cu N4 O10 - | - C12 H12 Cl2 Cu N4 O10 - | 1 | 0.5 | MU1350 | Sieroń, Lesław; Bukowska-Strzyżewska, Maria | <i>trans</i>-Diperchloratobis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 322 | 324 | 10.1107/S010827019701487X | 0.71073 | MoKα | 0.0404 | 0.0362 | null | null | null | 0.0947 | null | null | null | null | null | 1.072 | null | null | has coordinates | Sieroń, Lesław; Bukowska-Strzyżewska, Maria
<i>trans</i>-Diperchloratobis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II)
Acta Crystallographica Section C
54(3)
(1998)
322-324 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007107.cif $
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2,007,108 | 17.491 | 0.002 | 12.428 | 0.001 | 19.081 | 0.002 | 90 | null | 96.18 | 0.01 | 90 | null | 4,123.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1,1,1,2,2,2,3,3,3-nonacarbonyl-1,2-(μ-bis(diphenylphosphino)methane) -3-(trimethylphosphite-P)triangulotriruthenium(0) | - C37 H31 O12 P3 Ru3 - | - C37 H31 O12 P3 Ru3 - | - C148 H124 O48 P12 Ru12 - | 4 | 1 | MU1351 | Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Mohmad Ashari,Dewiyana; Fun, Hoong-Kun; Abdul Razak, Ibrahim | 1,1,1,2,2,2,3,3,3-Nonacarbonyl-1,2-[μ-bis(diphenylphosphino)methane-<i>P</i>',<i>P</i>'']-3-(trimethylphosphite-<i>P</i>)triangulotriruthenium(0) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 329 | 331 | 10.1107/S0108270197014881 | 0.71073 | MoKα | 0.0337 | 0.0274 | null | 0.0747 | 0.0722 | null | null | null | 1.029 | 1.076 | 1.076 | null | null | null | has coordinates | Shawkataly, Omar bin; Ramalingam, Kuppukkannu; Mohmad Ashari,Dewiyana; Fun, Hoong-Kun; Abdul Razak, Ibrahim
1,1,1,2,2,2,3,3,3-Nonacarbonyl-1,2-[μ-bis(diphenylphosphino)methane-<i>P</i>',<i>P</i>'']-3-(trimethylphosphite-<i>P</i>)triangulotriruthenium(0)
Acta Crystallographica Section C
54(3)
(1998)
329-331 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007108.cif $
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2,230,075 | 15.354 | 0.003 | 12.394 | 0.002 | 9.0627 | 0.0018 | 90 | null | 106.222 | 0.002 | 90 | null | 1,655.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV) | - C15 H21 I N2 Pt - | - C15 H21 I N2 Pt - | - C60 H84 I4 N8 Pt4 - | 4 | 1 | LR2005 | Lundvall, Fredrik; Wragg, David Stephen; Tilset, Mats | (5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m617 | m618 | 10.1107/S1600536811014085 | 0.71073 | MoKα | 0.0388 | 0.0309 | null | null | 0.0743 | 0.078 | null | null | null | null | null | 1.014 | null | null | has coordinates,has Fobs | Lundvall, Fredrik; Wragg, David Stephen; Tilset, Mats
(5,5'-Dimethyl-2,2'-bipyridine)iodidotrimethylplatinum(IV)
Acta Crystallographica Section E
67(5)
(2011)
m617-m618 | 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/2/23/00/2230075.cif $
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2,007,109 | 13.849 | 0.001 | 13.94 | 0.001 | 22.024 | 0.002 | 95.77 | 0.01 | 99.45 | 0.01 | 91.51 | 0.01 | 4,168.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C30 H94 Mo12 N15 O47 P5 Si - | - C30 H92 Mo12 N15 O46.5 P5 Si - | - C60 H184 Mo24 N30 O93 P10 Si2 - | 2 | 1 | MU1354 | Fun, Hoong-Kun; Chinnakali, Kandasamy; Yip, Boon-Chuan; Niu, Jing-Yang; Wang, Jing-Ping; You, Xiao-Zeng | A Dihydrate Complex of Molybdosilicic Acid and Hexamethylphosphoramide, [{(CH~3~)~2~N}~3~PO]~5~[H~4~SiMo~12~O~40~].2H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 3 | 327 | 329 | 10.1107/S0108270197015850 | 0.71073 | MoKα | 0.065 | 0.044 | null | 0.125 | 0.116 | null | null | null | 0.961 | 1.07 | 1.07 | null | null | null | has coordinates | Fun, Hoong-Kun; Chinnakali, Kandasamy; Yip, Boon-Chuan; Niu, Jing-Yang; Wang, Jing-Ping; You, Xiao-Zeng
A Dihydrate Complex of Molybdosilicic Acid and Hexamethylphosphoramide, [{(CH~3~)~2~N}~3~PO]~5~[H~4~SiMo~12~O~40~].2H~2~O
Acta Crystallographica Section C
54(3)
(1998)
327-329 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007109.cif $
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2,007,110 | 8.839 | 0.003 | 13.858 | 0.003 | 37.155 | 0.012 | 90 | null | 92.51 | 0.03 | 90 | null | 4,547 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | hexacarbonyl-1κ^3^C,2κ^3^C-μ~2~-(4-methylbenz-1-al)hydrazone-1:2κ^2^N^1^- -N^1^-[5-methyl-2(2,3-η)-benzylidene-1κC^3^]-di-iron | - C22 H16 Fe2 N2 O6 - | - C22 H16 Fe2 N2 O6 - | - C176 H128 Fe16 N16 O48 - | 8 | 2 | MU1358 | Zachara, Janusz; Zimniak, Andrzej | An Azomethylene Carbonyliron Complex from 4,4'-Dimethylbenzaldazine, μ~2~,η^2^,σ^3^-(4-Methylbenz-1-al)hydrazone-<i>N</i>^1^-(5-methylbenzylidene)hexacarbonyldiiron | Acta Crystallographica Section C | 1,998 | 54 | 3 | 353 | 355 | 10.1107/S0108270197015990 | 0.71073 | MoKα | 0.0525 | 0.0327 | null | 0.0899 | 0.0741 | 0.0805 | null | null | 1.144 | 1.104 | 1.104 | 1.024 | null | null | has coordinates | Zachara, Janusz; Zimniak, Andrzej
An Azomethylene Carbonyliron Complex from 4,4'-Dimethylbenzaldazine, μ~2~,η^2^,σ^3^-(4-Methylbenz-1-al)hydrazone-<i>N</i>^1^-(5-methylbenzylidene)hexacarbonyldiiron
Acta Crystallographica Section C
54(3)
(1998)
353-355 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007110.cif $
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2,007,111 | 9.72 | 0.002 | 9.735 | 0.002 | 10.111 | 0.002 | 93.12 | 0.02 | 112.8 | 0.02 | 108.05 | 0.02 | 821.8 | 0.4 | 295 | null | 295 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C16 H21 Al Cl N - | - C16 H21 Al Cl N - | - C32 H42 Al2 Cl2 N2 - | 2 | 1 | MU1362 | Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E. | Chloro(dibenzylamine-<i>N</i>)dimethylaluminium(III) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 335 | 337 | 10.1107/S010827019701679X | 0.71069 | MoKα | 0.077 | 0.036 | null | 0.048 | 0.043 | null | null | null | null | 1.614 | 1.614 | null | null | null | has coordinates | Craig, Fiona J.; Kennedy, Alan R.; Mulvey, Robert E.
Chloro(dibenzylamine-<i>N</i>)dimethylaluminium(III)
Acta Crystallographica Section C
54(3)
(1998)
335-337 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007111.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,074 | 8.7187 | 0.0018 | 11.385 | 0.002 | 13.198 | 0.003 | 96.17 | 0.003 | 93.728 | 0.002 | 105.861 | 0.003 | 1,246.8 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato) bis[dibenzyl(ethanol)tin(IV)] | - C52 H56 N4 O8 Sn2 - | - C52 H56 N4 O8 Sn2 - | - C52 H56 N4 O8 Sn2 - | 1 | 0.5 | LR2004 | Sun, Shaojun; Yang, Jie | Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato)bis[dibenzyl(ethanol)tin(IV)] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m544 | 10.1107/S1600536811011937 | 0.71073 | MoKα | 0.0577 | 0.0421 | null | null | 0.1009 | 0.1162 | null | null | null | null | null | 1.081 | null | null | has coordinates,has disorder,has Fobs | Sun, Shaojun; Yang, Jie
Bis(μ-2-{[oxido(phenyl)methylidene]hydrazinylidene}propanoato)bis[dibenzyl(ethanol)tin(IV)]
Acta Crystallographica Section E
67(5)
(2011)
m544 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230074.cif $
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2,007,112 | 8.907 | 0.001 | 10.042 | 0.002 | 11.927 | 0.002 | 90 | null | 103.64 | 0.01 | 90 | null | 1,036.7 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H22 Cu N4 O10 - | - C18 H22 Cu N4 O10 - | - C36 H44 Cu2 N8 O20 - | 2 | 0.5 | MU1367 | Yi Wang; Helen Stoeckli-Evans | Diaquabis(5-methoxycarbonyl-3,6-dimethylpyrazine-2-carboxylato-<i>N</i>^1^,<i>O</i>)copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 306 | 308 | 10.1107/S0108270197015643 | 0.71073 | MoKα | 0.101 | 0.045 | null | 0.116 | 0.089 | null | null | null | 1.144 | 1.131 | 1.131 | null | null | null | has coordinates,has Fobs | Yi Wang; Helen Stoeckli-Evans
Diaquabis(5-methoxycarbonyl-3,6-dimethylpyrazine-2-carboxylato-<i>N</i>^1^,<i>O</i>)copper(II)
Acta Crystallographica Section C
54(3)
(1998)
306-308 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007112.cif $
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2,007,113 | 7.3941 | 0.0005 | 10.532 | 0.001 | 25.684 | 0.002 | 90 | null | 90.585 | 0.005 | 90 | null | 2,000 | 0.3 | 180 | 2 | 180 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C16 H28 Cl3 Co N4 O3 - | - C16 H28 Cl3 Co N4 O3 - | - C64 H112 Cl12 Co4 N16 O12 - | 4 | 1 | MU1372 | Edwards, Karen-Leigh T.; Alcock, Nathaniel W.; Busch, Daryle H. | The Monomeric Form of a Cobalt(III) Complex of a Tetraaza Macrocyclic Ligand with a Dangling Carboxylate Arm | Acta Crystallographica Section C | 1,998 | 54 | 3 | 340 | 342 | 10.1107/S0108270197015175 | 0.71073 | MoKα | 0.0934 | 0.0521 | null | 0.0996 | 0.0866 | null | null | null | 1.06 | 1.122 | 1.122 | null | null | null | has coordinates,has Fobs | Edwards, Karen-Leigh T.; Alcock, Nathaniel W.; Busch, Daryle H.
The Monomeric Form of a Cobalt(III) Complex of a Tetraaza Macrocyclic Ligand with a Dangling Carboxylate Arm
Acta Crystallographica Section C
54(3)
(1998)
340-342 | 189,124 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-12-14 14:05:40 +0200 (Wed, 14 Dec 2016) $
#$Revision: 189124 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007113.cif $
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2,007,114 | 15.896 | 0.002 | 11.1691 | 0.0005 | 10.365 | 0.001 | 90 | null | 90 | null | 90 | null | 1,840.2 | 0.3 | 180 | 2 | 180 | 2 | null | null | null | null | 7 | P n a 21 | P 2c -2n | 33 | Chloro[N,N',N''-trimethyl-1,5,9-triazacyclododecane] Zinc(II) Hexafluorophosphate. | - C12 H27 Cl F6 N3 P Zn - | - C12 H27 Cl F6 N3 P Zn - | - C48 H108 Cl4 F24 N12 P4 Zn4 - | 4 | 1 | MU1373 | Alcock, Nathaniel W.; Clase, Howard J.; Siltchenko, Svetlana; Rybak-Akimova, Elena; Busch, Daryle H. | Chloro(<i>N</i>,<i>N</i>',<i>N</i>''-trimethyl-1,5,9-triazacyclododecane-κ^3^<i>N</i>)zinc(II) Hexafluorophosphate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 338 | 340 | 10.1107/S0108270197015187 | 0.71073 | MoKα | 0.0189 | 0.0171 | null | null | null | 0.0427 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Alcock, Nathaniel W.; Clase, Howard J.; Siltchenko, Svetlana; Rybak-Akimova, Elena; Busch, Daryle H.
Chloro(<i>N</i>,<i>N</i>',<i>N</i>''-trimethyl-1,5,9-triazacyclododecane-κ^3^<i>N</i>)zinc(II) Hexafluorophosphate
Acta Crystallographica Section C
54(3)
(1998)
338-340 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007114.cif $
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2,007,115 | 22.935 | 0.004 | 27.125 | 0.003 | 8.332 | 0.001 | 90 | null | 90 | null | 90 | null | 5,183.4 | 1.2 | 296 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Ambroxol Theophylline-7-Acetate Salt Monohydrate | Cyclohexanol-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-trans -mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6,dioxo-7H-purine-7-acetate) (salt) | - C22 H30 Br2 N6 O6 - | - C22 H30 Br2 N6 O6 - | - C176 H240 Br16 N48 O48 - | 8 | 1 | NA1242 | Giuseppetti, Giuseppe; Mazzi, Fiorenzo; Tadini, Carla; Giordano, Ferdinando; Bettinetti, Giampiero; Sorrenti, Milena; Gazzaniga, Andrea | Ambroxol Theophylline-7-acetate Salt Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 3 | 407 | 410 | 10.1107/S0108270196009328 | 0.7107 | MoKα | 0.174 | 0.086 | null | 0.19 | null | 0.143 | null | null | 1.187 | null | null | 1.317 | null | null | has coordinates | Giuseppetti, Giuseppe; Mazzi, Fiorenzo; Tadini, Carla; Giordano, Ferdinando; Bettinetti, Giampiero; Sorrenti, Milena; Gazzaniga, Andrea
Ambroxol Theophylline-7-acetate Salt Monohydrate
Acta Crystallographica Section C
54(3)
(1998)
407-410 | 191,977 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-10 18:21:58 +0200 (Fri, 10 Feb 2017) $
#$Revision: 191977 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007115.cif $
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2,007,116 | 7.089 | 0.001 | 9.648 | 0.002 | 9.798 | 0.001 | 94.12 | 0.01 | 108.04 | 0.01 | 101.22 | 0.02 | 618.71 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C15 H13 N3 - | - C15 H13 N3 - | - C30 H26 N6 - | 2 | 1 | NA1306 | Nicoló, Francesco; Panzalorto, Manuela; Scopelliti, Rosario; Grassi, Giovanni; Risitano, Francesco | 5,7-Dimethyl-3-phenyl-1,2,4-benzotriazine | Acta Crystallographica Section C | 1,998 | 54 | 3 | 405 | 407 | 10.1107/S0108270197014972 | 0.71073 | MoKα | 0.082 | 0.034 | null | 0.081 | 0.073 | null | null | null | 0.748 | 1.02 | 1.02 | null | null | null | has coordinates | Nicoló, Francesco; Panzalorto, Manuela; Scopelliti, Rosario; Grassi, Giovanni; Risitano, Francesco
5,7-Dimethyl-3-phenyl-1,2,4-benzotriazine
Acta Crystallographica Section C
54(3)
(1998)
405-407 | 211,412 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-10-12 16:30:09 +0300 (Fri, 12 Oct 2018) $
#$Revision: 211412 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007116.cif $
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2,007,117 | 9.906 | 0.003 | 10.635 | 0.003 | 8.126 | 0.001 | 90.56 | 0.02 | 94.84 | 0.03 | 116.49 | 0.02 | 762.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Cyclohexanone-2,4,4,6-tetramethylester | - C14 H18 O9 - | - C14 H18 O9 - | - C28 H36 O18 - | 2 | 1 | OA1039 | Hughes, Andrew B.; Mackay, Maureen F. | Cyclohexanone-2,4,4,6-tetramethyl Ester | Acta Crystallographica Section C | 1,998 | 54 | 3 | 380 | 382 | 10.1107/S0108270197014984 | 1.5418 | CuKα | 0.047 | 0.044 | null | 0.124 | 0.121 | null | null | null | 1.066 | 1.092 | 1.092 | null | null | null | has coordinates | Hughes, Andrew B.; Mackay, Maureen F.
Cyclohexanone-2,4,4,6-tetramethyl Ester
Acta Crystallographica Section C
54(3)
(1998)
380-382 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007117.cif $
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2,007,118 | 12.335 | 0.003 | 14.052 | 0.001 | 13.492 | 0.003 | 90 | null | 91.68 | 0.01 | 90 | null | 2,337.6 | 0.8 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (1R)-1-[(2R,4R,5S)-5-Phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl] -indan-2-one | - C26 H25 N O4 S - | - C26 H25 N O4 S - | - C104 H100 N4 O16 S4 - | 4 | 2 | QA0029 | Berger, Bernd; Bolte, Michael | (1<i>R</i>)-1-[(2<i>R</i>,4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one | Acta Crystallographica Section C | 1,998 | 54 | 3 | IUC9800006 | 10.1107/S010827019809979X | 1.5418 | CuKα | 0.0311 | 0.0302 | null | null | null | 0.0828 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Berger, Bernd; Bolte, Michael
(1<i>R</i>)-1-[(2<i>R</i>,4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one
Acta Crystallographica Section C
54(3)
(1998)
IUC9800006 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007118.cif $
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2,230,073 | 8.0488 | 0.0001 | 13.6065 | 0.0002 | 16.788 | 0.0002 | 90 | null | 106.298 | 0.001 | 90 | null | 1,764.67 | 0.04 | 100 | null | 100 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isobutyl-5-methoxy-2',3-dimethyl-4,6- dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]- 1',3'(2'<i>H</i>,4'<i>H</i>)-dione | - C19 H22 N2 O5 - | - C19 H22 N2 O5 - | - C76 H88 N8 O20 - | 4 | 1 | LH5238 | Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao | (1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isobutyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1273 | o1274 | 10.1107/S1600536811015327 | 0.71073 | MoKα | 0.0438 | 0.0377 | null | null | 0.098 | 0.1033 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao
(1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isobutyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione
Acta Crystallographica Section E
67(5)
(2011)
o1273-o1274 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230073.cif $
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2,007,119 | 7.086 | 0.002 | 8.329 | 0.003 | 11.655 | 0.005 | 71.22 | 0.05 | 85.53 | 0.03 | 86.14 | 0.04 | 648.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | efaroxan hydrochloride | [2-[2-ethyl-2,3-dihydro-2-benzofuranyl]]-2-imidazolinium chloride | - C13 H17 Cl N2 O - | - C13 H17 Cl N2 O - | - C26 H34 Cl2 N4 O2 - | 2 | 1 | QB0028 | Belin, Claude; Pena, Richard; Chauvet, Alain; Ribet, Jean Paul; Maurel, Jean Louis | Polymorph II of 2-(2-Ethyl-2,3-dihydro-1-benzofuran-2-yl)imidazolinium Chloride | Acta Crystallographica Section C | 1,998 | 54 | 3 | IUC9800004 | 10.1107/S0108270198099818 | 0.7109 | MoKα | 0.211 | 0.0504 | null | null | null | 0.1512 | null | null | null | null | null | 0.855 | null | null | has coordinates,has Fobs | Belin, Claude; Pena, Richard; Chauvet, Alain; Ribet, Jean Paul; Maurel, Jean Louis
Polymorph II of 2-(2-Ethyl-2,3-dihydro-1-benzofuran-2-yl)imidazolinium Chloride
Acta Crystallographica Section C
54(3)
(1998)
IUC9800004 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007119.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,120 | 9.5229 | 0.0011 | 9.5229 | 0.0011 | 14.736 | 0.002 | 90 | null | 90 | null | 90 | null | 1,336.3 | 0.3 | 170 | 1 | 170 | 1 | null | null | null | null | 3 | P 43 | P 4cw | 78 | O-methyldehydronorcacalol | - C15 H18 O3 - | - C15 H18 O3 - | - C60 H72 O12 - | 4 | 1 | QB0029 | Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H. | <i>O</i>-Methyldehydronorcacalol | Acta Crystallographica Section C | 1,998 | 54 | 3 | IUC9800005 | 10.1107/S0108270198099806 | 0.71069 | MoKα | 0.0844 | 0.0377 | null | null | null | 0.1065 | null | null | null | null | null | 1.027 | null | null | has coordinates | Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H.
<i>O</i>-Methyldehydronorcacalol
Acta Crystallographica Section C
54(3)
(1998)
IUC9800005 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007120.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,121 | 5.057 | 0.002 | 11.046 | 0.002 | 12.531 | 0.002 | 88.525 | 0.014 | 87.03 | 0.02 | 79.29 | 0.02 | 686.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2,3-Dihydro-6,7-dimethyl-2-phenyl-4H-1-benzopyran-4-one | - C17 H16 O2 - | - C17 H16 O2 - | - C34 H32 O4 - | 2 | 1 | QC0001 | Suchada Chantrapromma; Narintha Chawaluechai; Chatchanok Karalai; Kan Chantrapromma; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak | 2,3-Dihydro-6,7-dimethyl-2-phenyl-4<i>H</i>-1-benzopyran-4-one | Acta Crystallographica Section C | 1,998 | 54 | 3 | IUC9800007 | 10.1107/S0108270198099788 | 0.71073 | MoKα | 0.0812 | 0.0521 | null | 0.1658 | 0.151 | null | null | null | 1.024 | 1.21 | 1.21 | null | null | null | has coordinates | Suchada Chantrapromma; Narintha Chawaluechai; Chatchanok Karalai; Kan Chantrapromma; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak
2,3-Dihydro-6,7-dimethyl-2-phenyl-4<i>H</i>-1-benzopyran-4-one
Acta Crystallographica Section C
54(3)
(1998)
IUC9800007 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007121.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,122 | 18.331 | 0.004 | 3.678 | 0.003 | 17.052 | 0.001 | 90 | null | 98.43 | 0.02 | 90 | null | 1,137.2 | 1 | 292 | null | 292 | null | null | null | null | null | 4 | I 1 2/a 1 | -I 2ya | 15 | 2-(nitramino)pyridine | - C5 H5 N3 O2 - | - C5 H5 N3 O2 - | - C40 H40 N24 O16 - | 8 | 1 | SK1128 | Angelova, Olyana; Petrova, Rosica; Atanasov, Vladimir | 2-(Nitroamino)pyridine | Acta Crystallographica Section C | 1,998 | 54 | 3 | 441 | 442 | 10.1107/S0108270197015503 | 0.71073 | MoKα | null | 0.043 | null | null | null | 0.071 | null | null | null | null | null | 1.232 | null | null | has coordinates | Angelova, Olyana; Petrova, Rosica; Atanasov, Vladimir
2-(Nitroamino)pyridine
Acta Crystallographica Section C
54(3)
(1998)
441-442 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007122.cif $
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2,007,123 | 8.981 | 0.004 | 9.72 | 0.003 | 14.451 | 0.004 | 104.83 | 0.03 | 92.42 | 0.03 | 110.62 | 0.03 | 1,129.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Manganese tris(ethylendiamine) ethylenediammonium tetraselenoantimonat | - C8 H33 Mn N8 Sb Se4 - | - C8 H33 Mn N8 Sb Se4 - | - C16 H66 Mn2 N16 Sb2 Se8 - | 2 | 1 | SK1148 | Wendland, Frank; Näther, Christian; Schur, Michael; Bensch, Wolfgang | H~2~N(CH~2~)~2~NH~3~^+^.[Mn{H~2~N(CH~2~)~2~NH~2~}~3~]^2+^.[Sb Se~4~]^3{-^} | Acta Crystallographica Section C | 1,998 | 54 | 3 | 317 | 319 | 10.1107/S0108270197014030 | 0.71073 | MoKα | 0.0786 | 0.0428 | null | 0.1194 | 0.1073 | null | null | null | 0.991 | 1.057 | 1.057 | null | null | null | has coordinates,has disorder | Wendland, Frank; Näther, Christian; Schur, Michael; Bensch, Wolfgang
H~2~N(CH~2~)~2~NH~3~^+^.[Mn{H~2~N(CH~2~)~2~NH~2~}~3~]^2+^.[Sb Se~4~]^3{-^}
Acta Crystallographica Section C
54(3)
(1998)
317-319 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007123.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,124 | 14.458 | 0.001 | 7.569 | 0.001 | 12.768 | 0.001 | 90 | null | 105.8 | 0.01 | 90 | null | 1,344.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3,3'-dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne | - C22 H42 O2 Si2 - | - C22 H42 O2 Si2 - | - C44 H84 O4 Si4 - | 2 | 0.5 | SK1151 | Wicki, Andreas; Grüschow, Sabine; Lüthi, Therese; von Grothe, Julia; Capelli, Silvia; Hauser, Jürg; Keese, Reinhart | <i>meso</i>-3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-octadiyne | Acta Crystallographica Section C | 1,998 | 54 | 3 | 382 | 384 | 10.1107/S0108270197016855 | 0.71073 | MoKα | 0.067 | 0.051 | null | null | null | 0.154 | null | null | null | null | null | 1.063 | null | null | has coordinates | Wicki, Andreas; Grüschow, Sabine; Lüthi, Therese; von Grothe, Julia; Capelli, Silvia; Hauser, Jürg; Keese, Reinhart
<i>meso</i>-3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-octadiyne
Acta Crystallographica Section C
54(3)
(1998)
382-384 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007124.cif $
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2,230,072 | 10.5721 | 0.0002 | 10.426 | 0.0002 | 15.7633 | 0.0003 | 90 | null | 101.641 | 0.001 | 90 | null | 1,701.77 | 0.06 | 100 | null | 100 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isopropyl-5-methoxy-2',3-dimethyl- 4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]- 1',3'(2'<i>H</i>,4'<i>H</i>)-dione | - C18 H20 N2 O5 - | - C18 H20 N2 O5 - | - C72 H80 N8 O20 - | 4 | 1 | LH5237 | Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao | (1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isopropyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1271 | o1272 | 10.1107/S1600536811015315 | 0.71073 | MoKα | 0.0484 | 0.0399 | null | null | 0.1026 | 0.1081 | null | null | null | null | null | 1.023 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Quah, Ching Kheng; Huang, Chengmei; Yu, Haitao
(1<i>S</i>*,4'<i>S</i>*,5<i>R</i>*)-1-Isopropyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'<i>H</i>,4'<i>H</i>)-dione
Acta Crystallographica Section E
67(5)
(2011)
o1271-o1272 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230072.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,125 | 6.973 | 0.001 | 7.678 | 0.001 | 14.472 | 0.001 | 90 | null | 92.83 | 0.003 | 90 | null | 773.87 | 0.16 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | cis-(αS,1S,2R)-2-methyl-1(α-methylbenzylamino)-cyclohexanecarboxamide | - C16 H24 N2 O - | - C16 H24 N2 O - | - C32 H48 N4 O2 - | 2 | 1 | SK1153 | Volk, Franz-Josef; Mattern, Günter; Weckert, Edgar; Frahm, August W. | The Absolute Configuration of <i>cis</i>-(α<i>S</i>,1<i>S</i>,2<i>R</i>)-2-Methyl-1-(α-methylbenzylamino)cyclohexanecarboxamide | Acta Crystallographica Section C | 1,998 | 54 | 3 | 387 | 389 | 10.1107/S0108270197013917 | 0.71073 | MoKα | 0.0361 | 0.0361 | null | 0.0387 | 0.0387 | null | null | null | 1.16 | 1.16 | 1.16 | null | null | null | has coordinates | Volk, Franz-Josef; Mattern, Günter; Weckert, Edgar; Frahm, August W.
The Absolute Configuration of <i>cis</i>-(α<i>S</i>,1<i>S</i>,2<i>R</i>)-2-Methyl-1-(α-methylbenzylamino)cyclohexanecarboxamide
Acta Crystallographica Section C
54(3)
(1998)
387-389 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007125.cif $
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2,007,126 | 9.545 | 0.001 | 32.428 | 0.005 | 6.81 | 0.001 | 90 | null | 90 | null | 90 | null | 2,107.9 | 0.5 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | ((1R,2S,4R,5S,6S)-exo-2-acetoxy-3,3,endo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate | - C21 H30 O6 - | - C21 H30 O6 - | - C84 H120 O24 - | 4 | 1 | SK1154 | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy | Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds | Acta Crystallographica Section C | 1,998 | 54 | 3 | 392 | 398 | 10.1107/S0108270197013929 | 1.54178 | CuKα | 0.0872 | 0.0555 | null | null | null | 0.1586 | null | null | null | null | null | 0.98 | null | null | has coordinates | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy
Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds
Acta Crystallographica Section C
54(3)
(1998)
392-398 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007126.cif $
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2,007,127 | 14.714 | 0.001 | 11.001 | 0.001 | 14.736 | 0.002 | 90 | null | 118.527 | 0.008 | 90 | null | 2,095.7 | 0.4 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C21 H30 O6 - | - C21 H30 O6 - | - C84 H120 O24 - | 4 | 2 | SK1154 | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy | Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds | Acta Crystallographica Section C | 1,998 | 54 | 3 | 392 | 398 | 10.1107/S0108270197013929 | 1.54178 | CuKα | 0.0504 | 0.0478 | null | null | null | 0.1329 | null | null | null | null | null | 1.045 | null | null | has coordinates | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy
Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds
Acta Crystallographica Section C
54(3)
(1998)
392-398 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007127.cif $
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2,007,128 | 11.5461 | 0.0011 | 12.2484 | 0.0007 | 7.169 | 0.005 | 90 | null | 102.487 | 0.004 | 90 | null | 989.9 | 0.7 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | ((1R,2S,4R,5S)-exo-2-acetoxy-3,3-dimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate | - C20 H28 O6 - | - C20 H28 O6 - | - C40 H56 O12 - | 2 | 1 | SK1154 | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy | Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds | Acta Crystallographica Section C | 1,998 | 54 | 3 | 392 | 398 | 10.1107/S0108270197013929 | 1.54178 | CuKα | 0.0438 | 0.043 | null | null | null | 0.1088 | null | null | null | null | null | 1.084 | null | null | has coordinates | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy
Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds
Acta Crystallographica Section C
54(3)
(1998)
392-398 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007128.cif $
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2,230,071 | 28.5192 | 0.0005 | 18.1631 | 0.0003 | 25.4194 | 0.0005 | 90 | null | 122.697 | 0.001 | 90 | null | 11,080.7 | 0.4 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate | - C51 H45 Cd N15.5 O16.25 - | - C51 H44.5 Cd N15.5 O16.25 - | - C408 H356 Cd8 N124 O130 - | 8 | 1 | LH5236 | Wu, Huilu; Kou, Fan; Jia, Fei; Yuan, Jingkun; Liu, Bin | Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m647 | 10.1107/S160053681101525X | 0.71073 | MoKα | 0.0393 | 0.0336 | null | null | 0.0966 | 0.1008 | null | null | null | null | null | 1.054 | null | null | has coordinates,has disorder,has Fobs | Wu, Huilu; Kou, Fan; Jia, Fei; Yuan, Jingkun; Liu, Bin
Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate
Acta Crystallographica Section E
67(5)
(2011)
m647 | 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/2/23/00/2230071.cif $
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2,007,129 | 12.806 | 0.001 | 22.332 | 0.003 | 7.2582 | 0.001 | 90 | null | 90 | null | 90 | null | 2,075.7 | 0.4 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | ((1R,2S,4R,5S,6R)-exo-2-acetoxy-3,3,exo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate | - C21 H30 O6 - | - C21 H30 O6 - | - C84 H120 O24 - | 4 | 1 | SK1154 | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy | Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds | Acta Crystallographica Section C | 1,998 | 54 | 3 | 392 | 398 | 10.1107/S0108270197013929 | 1.54178 | CuKα | 0.0408 | 0.0394 | null | null | null | 0.1027 | null | null | null | null | null | 1.087 | null | null | has coordinates | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy
Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds
Acta Crystallographica Section C
54(3)
(1998)
392-398 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007129.cif $
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2,007,130 | 15.58 | 0.001 | 12.889 | 0.001 | 6.236 | 0.0001 | 90 | null | 99.051 | 0.004 | 90 | null | 1,236.66 | 0.13 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | ((1S,2S,4R,5R,6S)-exo-2-acetoxy-endo-6-(3-butenyl)-3,3,exo-6- trimethylbicyclo[3.1.0]hexan-exo-4-yl) camphanoate | - C25 H36 O6 - | - C25 H36 O6 - | - C50 H72 O12 - | 2 | 1 | SK1154 | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy | Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds | Acta Crystallographica Section C | 1,998 | 54 | 3 | 392 | 398 | 10.1107/S0108270197013929 | 1.5418 | CuKα | 0.0505 | 0.0491 | null | null | null | 0.1298 | null | null | null | null | null | 1.081 | null | null | has coordinates | Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy
Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds
Acta Crystallographica Section C
54(3)
(1998)
392-398 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007130.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,131 | 5.929 | 0.001 | 9.131 | 0.001 | 11.716 | 0.001 | 107.94 | 0.01 | 96.29 | 0.01 | 93.88 | 0.01 | 596.35 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | OLPADRONATE | Monosodium 3(N,N-dimethyl)-1-hydroxy-1,1'-bisphosphonate, hydrate (Olpadronate) | - C5 H16 N Na O8 P2 - | - C5 H16 N Na O8 P2 - | - C10 H32 N2 Na2 O16 P4 - | 2 | 1 | SX1043 | Vega, Daniel; Baggio, Ricardo; Piro, Oscar | Monosodium 3-(Dimethylammonio)-1-hydroxy-1,1-propanediyldiphosphonate Monohydrate (Monosodium Olpadronate Monohydrate) | Acta Crystallographica Section C | 1,998 | 54 | 3 | 324 | 327 | 10.1107/S0108270197013553 | 0.71073 | MoKα | 0.0903 | 0.0419 | null | 0.1253 | 0.0956 | null | null | null | 1.1 | 1.05 | 1.05 | null | null | null | has coordinates | Vega, Daniel; Baggio, Ricardo; Piro, Oscar
Monosodium 3-(Dimethylammonio)-1-hydroxy-1,1-propanediyldiphosphonate Monohydrate (Monosodium Olpadronate Monohydrate)
Acta Crystallographica Section C
54(3)
(1998)
324-327 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007131.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,132 | 7.516 | 0.001 | 12.962 | 0.002 | 8.55 | 0.001 | 90 | null | 97.78 | 0.01 | 90 | null | 825.29 | 0.19 | 213 | null | 213 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C7 H10 N2 O2 - | - C7 H10 N2 O2 - | - C28 H40 N8 O8 - | 4 | 1 | TA1190 | Crisp, Geoffrey T.; Jiang, Yin-Lin; Tiekink, Edward R.T. | 2-(<i>N</i>-Acetylamino)pent-4-ynamide | Acta Crystallographica Section C | 1,998 | 54 | 3 | 436 | 437 | 10.1107/S0108270197016429 | 0.7107 | MoKα | null | 0.0441 | null | null | 0.0511 | null | null | null | null | 2.151 | 2.151 | null | null | null | has coordinates | Crisp, Geoffrey T.; Jiang, Yin-Lin; Tiekink, Edward R.T.
2-(<i>N</i>-Acetylamino)pent-4-ynamide
Acta Crystallographica Section C
54(3)
(1998)
436-437 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007132.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,070 | 10.731 | 0.002 | 11.021 | 0.002 | 13.859 | 0.003 | 88.32 | 0.009 | 76.12 | 0.006 | 78.86 | 0.008 | 1,561 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5- vinyltrisiloxan-1-yl)cyclodisilazane | - C60 H70 N2 O4 Si8 - | - C60 H70 N2 O4 Si8 - | - C60 H70 N2 O4 Si8 - | 1 | 0.5 | LH5235 | Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin | 2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5-vinyltrisiloxan-1-yl)cyclodisilazane | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1234 | 10.1107/S1600536811014863 | 0.71073 | MoKα | 0.0843 | 0.0715 | null | null | 0.1606 | 0.1694 | null | null | null | null | null | 1.106 | null | null | has coordinates,has disorder,has Fobs | Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin
2,2,4,4-Tetraphenyl-1,3-bis(3,3,5,5-tetramethyl-1,1-diphenyl-5-vinyltrisiloxan-1-yl)cyclodisilazane
Acta Crystallographica Section E
67(5)
(2011)
o1234 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230070.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,133 | 6.8829 | 0.0002 | 6.9979 | 0.0003 | 7.8655 | 0.0003 | 111.529 | 0.001 | 95.615 | 0.002 | 106.786 | 0.002 | 328.45 | 0.02 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | cyclotene hydrate | 2-Hydroxy-3-methylcyclopent-2-enone hydrate | - C6 H10 O3 - | - C6 H10 O3 - | - C12 H20 O6 - | 2 | 1 | TA1197 | Fayle, Siân E.; Gerrard, Juliet A.; Nursten, Harry E.; Steel, Peter J. | Cyclotene Hydrate, C~6~H~8~O~2~.H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 3 | 404 | 405 | 10.1107/S0108270197013632 | 0.71073 | MoKα | null | 0.0445 | null | null | null | 0.1156 | null | null | null | null | null | 1.135 | null | null | has coordinates | Fayle, Siân E.; Gerrard, Juliet A.; Nursten, Harry E.; Steel, Peter J.
Cyclotene Hydrate, C~6~H~8~O~2~.H~2~O
Acta Crystallographica Section C
54(3)
(1998)
404-405 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007133.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,134 | 8.54 | 0.003 | 9.536 | 0.002 | 15.819 | 0.006 | 93.31 | 0.02 | 94.12 | 0.03 | 90.67 | 0.02 | 1,282.6 | 0.7 | 122 | 0.5 | 122 | 0.5 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis[tetra-n-butylammonium]Bis[(4-cyanophenyl)dithocarbimato]Nickel(II) | - C48 H80 N6 Ni S4 - | - C48 H80 N6 Ni S4 - | - C48 H80 N6 Ni S4 - | 1 | 0.5 | AB1504 | Steen B. Schougaard; Thomas Pittelkow; Frederik Krebs; Sine Larsen; Henning O. Sørensen; Daniel R. Greve; Thomas Bjørnholm | Bis(tetra-<i>n</i>-butylammonium) Bis[(4-cyanophenyl)dithiocarbimato(2‒)-<i>S</i>,<i>S</i>']nickel(II) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 470 | 473 | 10.1107/S0108270197016971 | 0.71073 | MoKα | 0.0465 | 0.0352 | null | 0.0621 | 0.0607 | null | null | null | 2.474 | 2.639 | 2.639 | null | null | null | has coordinates | Steen B. Schougaard; Thomas Pittelkow; Frederik Krebs; Sine Larsen; Henning O. Sørensen; Daniel R. Greve; Thomas Bjørnholm
Bis(tetra-<i>n</i>-butylammonium) Bis[(4-cyanophenyl)dithiocarbimato(2‒)-<i>S</i>,<i>S</i>']nickel(II)
Acta Crystallographica Section C
54(4)
(1998)
470-473 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007134.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,135 | 13.727 | 0.001 | 13.727 | 0.001 | 8.13 | 0.001 | 90 | null | 90 | null | 90 | null | 1,531.9 | 0.2 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | I 41/a :2 | -I 4ad | 88 | 2,3-diiodo-2-buten-1,4-diol | - C4 H6 I2 O2 - | - C4 H6 I2 O2 - | - C32 H48 I16 O16 - | 8 | 0.5 | AB1505 | Løiten, Marianne Sveaas; Bjørn Dalhus; Fjαertoft, Berit; Klaveness, Jo | <i>trans</i>-2,3-Diiodo-2-butene-1,4-diol | Acta Crystallographica Section C | 1,998 | 54 | 4 | 555 | 557 | 10.1107/S0108270197014406 | 0.71073 | MoKα | 0.0315 | 0.0271 | null | 0.0531 | 0.0522 | null | null | null | 2.239 | 2.299 | 2.299 | null | null | null | has coordinates | Løiten, Marianne Sveaas; Bjørn Dalhus; Fjαertoft, Berit; Klaveness, Jo
<i>trans</i>-2,3-Diiodo-2-butene-1,4-diol
Acta Crystallographica Section C
54(4)
(1998)
555-557 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007135.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,136 | 7.424 | 0.004 | 14.303 | 0.003 | 26.51 | 0.002 | 90 | null | 90 | null | 90 | null | 2,815 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C16 H14 N2 O S - | - C16 H14 N2 O S - | - C128 H112 N16 O8 S8 - | 8 | 1 | AB1510 | Elerman, Yalc̨in; Elmali, Ayhan | 2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile | Acta Crystallographica Section C | 1,998 | 54 | 4 | 529 | 531 | 10.1107/S0108270197013991 | 0.71069 | MoKα | 0.0371 | 0.0338 | null | 0.0902 | 0.0876 | null | null | null | 1.083 | 1.238 | 1.238 | null | null | null | has coordinates | Elerman, Yalc̨in; Elmali, Ayhan
2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile
Acta Crystallographica Section C
54(4)
(1998)
529-531 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007136.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,137 | 10.8018 | 0.0009 | 12.5581 | 0.0009 | 10.9691 | 0.0009 | 90 | null | 91.052 | 0.007 | 90 | null | 1,487.7 | 0.2 | 298 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C6 H14 Cl4 N2 O P2 - | - C6 H14 Cl4 N2 O P2 - | - C24 H56 Cl16 N8 O4 P8 - | 4 | 1 | AB1517 | Hökelek, Tuncer; Kılıç, Zeynel; Dal, Hakan | <i>P</i>,<i>P</i>-Dichloro-<i>N</i>-(dichlorophosphinoyl)-<i>P</i>-(diisopropylamino)monophosphazene | Acta Crystallographica Section C | 1,998 | 54 | 4 | 523 | 525 | 10.1107/S0108270197016983 | 0.71073 | MoKα | null | 0.045 | null | null | 0.063 | null | null | null | null | 2.15 | 2.15 | null | null | null | has coordinates | Hökelek, Tuncer; Kılıç, Zeynel; Dal, Hakan
<i>P</i>,<i>P</i>-Dichloro-<i>N</i>-(dichlorophosphinoyl)-<i>P</i>-(diisopropylamino)monophosphazene
Acta Crystallographica Section C
54(4)
(1998)
523-525 | 278,320 | 2022-10-03 | 12:00:49 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 15:00:48 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278320 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007137.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,069 | 12.1188 | 0.0018 | 17.016 | 0.003 | 20.621 | 0.003 | 90 | null | 93.216 | 0.003 | 90 | null | 4,245.6 | 1.2 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane | 2,2,4,4,6,6,8,8-octaphenyl-1,5,3,7,2,4,6,8-dioxadiazatetrasilocane | - C48 H42 N2 O2 Si4 - | - C48 H42 N2 O2 Si4 - | - C192 H168 N8 O8 Si16 - | 4 | 0.5 | LH5233 | Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin | 1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1233 | 10.1107/S1600536811014851 | 0.71073 | MoKα | 0.0581 | 0.052 | null | null | 0.1168 | 0.1204 | null | null | null | null | null | 1.102 | null | null | has coordinates,has Fobs | Lv, Zhen; Dai, Lina; Zhang, Xuezhong; Zhang, Zhijie; Xie, Zemin
1,1,3,3,5,5,7,7-Octaphenyl-2,6-dioxa-4,8-diaza-1,3,5,7-tetrasilacyclooctane
Acta Crystallographica Section E
67(5)
(2011)
o1233 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/00/2230069.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,138 | 10.446 | 0.001 | 11.045 | 0.001 | 11.316 | 0.001 | 64.24 | 0.01 | 79.2 | 0.01 | 85.35 | 0.01 | 1,155 | 0.2 | 294 | 2 | 294 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1,5,8,12-Tetrathiaspiro[6.6]tridecane | - C9 H16 S4 - | - C9 H16 S4 - | - C36 H64 S16 - | 4 | 2 | AB1520 | Barrot, Mireia; Fabrias, Gemma; Camps, Francisco; Molins, Elies; Roig, Anna; Maniukiewicz, Waldemar | 1,5,8,12-Tetrathiaspiro[6.6]tridecane | Acta Crystallographica Section C | 1,998 | 54 | 4 | 533 | 534 | 10.1107/S0108270197015138 | 0.71069 | MoKα | 0.0355 | 0.0294 | null | null | null | 0.0876 | null | null | null | null | null | 1.122 | null | null | has coordinates | Barrot, Mireia; Fabrias, Gemma; Camps, Francisco; Molins, Elies; Roig, Anna; Maniukiewicz, Waldemar
1,5,8,12-Tetrathiaspiro[6.6]tridecane
Acta Crystallographica Section C
54(4)
(1998)
533-534 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007138.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,139 | 15.747 | 0.001 | 15.747 | 0.001 | 13.148 | 0.001 | 90 | null | 90 | null | 90 | null | 3,260.3 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -4 21 c | P -4 2n | 114 | - C68 H104 Cl6 Mn N4 - | - C68 H104 Cl6 Mn N4 - | - C136 H208 Cl12 Mn2 N8 - | 2 | 0.25 | BK1313 | Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H. | Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride | Acta Crystallographica Section C | 1,998 | 54 | 4 | 475 | 476 | 10.1107/S0108270197005842 | 0.71073 | MoKα | 0.0466 | 0.035 | null | 0.089 | 0.0842 | null | null | null | 1.06 | 1.086 | 1.086 | null | null | null | has coordinates | Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H.
Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride
Acta Crystallographica Section C
54(4)
(1998)
475-476 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007139.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,140 | 11.2065 | 0.0005 | 6.0273 | 0.0004 | 12.7077 | 0.0005 | 90 | null | 105.1 | 0.03 | 90 | null | 828.7 | 0.14 | 295 | null | 295 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C18 H20 N2 O4 - | - C18 H20 N2 O4 - | - C36 H40 N4 O8 - | 2 | 0.5 | BK1345 | Moreno-Fuquen, Rodolfo; Gambardella, Maria Teresa do Prado; Valderrama-N, Jaime | 2:1 Complex of 3-Picoline <i>N</i>-Oxide and Hydroquinone | Acta Crystallographica Section C | 1,998 | 54 | 4 | 515 | 517 | 10.1107/S0108270197016260 | 0.71073 | MoKα | 0.0481 | 0.04 | null | 0.1374 | 0.123 | null | null | null | 1.022 | 0.988 | 0.988 | null | null | null | has coordinates | Moreno-Fuquen, Rodolfo; Gambardella, Maria Teresa do Prado; Valderrama-N, Jaime
2:1 Complex of 3-Picoline <i>N</i>-Oxide and Hydroquinone
Acta Crystallographica Section C
54(4)
(1998)
515-517 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007140.cif $
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2,007,141 | 10.3139 | 0.0009 | 7.3105 | 0.0005 | 16.735 | 0.001 | 90 | null | 90 | null | 90 | null | 1,261.82 | 0.16 | 298 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C11 H13 N O2 Si - | - C11 H13 N O2 Si - | - C44 H52 N4 O8 Si4 - | 4 | 0.5 | BK1347 | Garcia, J. Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R. | 4-Nitro-1-(trimethylsilylethynyl)benzene | Acta Crystallographica Section C | 1,998 | 54 | 4 | 489 | 491 | 10.1107/S0108270197012407 | 1.54184 | CuKα | null | 0.046 | null | null | 0.051 | null | null | null | null | 2.17 | 2.17 | null | null | null | has coordinates | Garcia, J. Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.
4-Nitro-1-(trimethylsilylethynyl)benzene
Acta Crystallographica Section C
54(4)
(1998)
489-491 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007141.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,142 | 12.004 | 0.002 | 19.108 | 0.002 | 20.328 | 0.002 | 90 | null | 90 | null | 90 | null | 4,662.7 | 1 | 220 | 2 | 220 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | ferrocenylbenzonitrile | 3,6-Dimethoxy-2-[α-ferrocenyl-α-(2',5'-dimethoxy- phenyl)]methylbenzonitrile | - C28 H27 Fe N O4 - | - C28 H27 Fe N O4 - | - C224 H216 Fe8 N8 O32 - | 8 | 1 | BK1350 | Zhang, Hongming; Lu, Yingchun; Biehl, Ed | 2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile | Acta Crystallographica Section C | 1,998 | 54 | 4 | 462 | 464 | 10.1107/S010827019701442X | 0.71073 | MoKα | 0.081 | 0.043 | null | 0.102 | 0.086 | null | null | null | 1.02 | 1.086 | 1.086 | null | null | null | has coordinates | Zhang, Hongming; Lu, Yingchun; Biehl, Ed
2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile
Acta Crystallographica Section C
54(4)
(1998)
462-464 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007142.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,143 | 7.5011 | 0.0014 | 7.1875 | 0.0013 | 24.917 | 0.002 | 90 | null | 92.9 | 0.02 | 90 | null | 1,341.7 | 0.4 | 243 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C13 H13 N3 O5 - | - C13 H13 N3 O5 - | - C52 H52 N12 O20 - | 4 | 1 | BK1358 | Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; De Castro, Eustaquio Vinicius Ribeiro | 1:1 Complex of 2-Aminobenzoic Acid and 3-Methyl-4-nitropyridine <i>N</i>-Oxide | Acta Crystallographica Section C | 1,998 | 54 | 4 | 517 | 519 | 10.1107/S0108270197016272 | 0.71073 | MoKα | 0.0825 | 0.055 | null | 0.1823 | 0.149 | null | null | null | 1.064 | 1.04 | 1.04 | null | null | null | has coordinates | Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina Helena; De Castro, Eustaquio Vinicius Ribeiro
1:1 Complex of 2-Aminobenzoic Acid and 3-Methyl-4-nitropyridine <i>N</i>-Oxide
Acta Crystallographica Section C
54(4)
(1998)
517-519 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007143.cif $
#-------------------------------------------------------------------... | |||||||||||
2,230,068 | 8.1426 | 0.0001 | 36.2705 | 0.0005 | 9.409 | 0.0001 | 90 | null | 114.611 | 0.001 | 90 | null | 2,526.38 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-Hexadecyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine- 2,4(3<i>H</i>,5<i>H</i>)-dione | - C27 H44 N2 O2 - | - C27 H44 N2 O2 - | - C108 H176 N8 O8 - | 4 | 1 | LH5231 | Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng | 3-Hexadecyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1155 | 10.1107/S1600536811013663 | 0.71073 | MoKα | 0.0803 | 0.0503 | null | null | 0.1403 | 0.159 | null | null | null | null | null | 1.031 | null | null | has coordinates,has Fobs | Dardouri, Rachida; Rodi, Youssef Kandri; Ladeira, Sonia; Essassi, El Mokhtar; Ng, Seik Weng
3-Hexadecyl-1,5-dimethyl-1<i>H</i>-1,5-benzodiazepine-2,4(3<i>H</i>,5<i>H</i>)-dione
Acta Crystallographica Section E
67(5)
(2011)
o1155 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,007,144 | 19.27 | 0.004 | 14.819 | 0.004 | 11.392 | 0.004 | 90 | null | 90 | null | 90 | null | 3,253.2 | 1.3 | 296 | null | 296 | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | phenolphthalein | - C20 H14 O4 - | - C20 H14 O4 - | - C160 H112 O32 - | 8 | 2 | Fitzgerald, Lawrence J.; Gerkin, Roger E. | Phenolphthalein and 3',3''-Dinitrophenolphthalein | Acta Crystallographica, Section C: Crystal Structure Communications | 1,998 | 54 | 4 | 535 | 539 | 10.1107/s0108270197015771 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fitzgerald, Lawrence J.; Gerkin, Roger E.
Phenolphthalein and 3',3''-Dinitrophenolphthalein
Acta Crystallographica, Section C: Crystal Structure Communications
54(4)
(1998)
535-539 | 209,653 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-14 00:49:00 +0300 (Tue, 14 Aug 2018) $
#$Revision: 209653 $
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2,007,145 | 27.634 | 0.002 | 8.122 | 0.004 | 15.741 | 0.003 | 90 | null | 90 | null | 90 | null | 3,533 | 1.9 | 296 | null | 296 | null | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | 3',3''-dinitrophenolphthalein | - C20 H12 N2 O8 - | - C20 H12 N2 O8 - | - C160 H96 N16 O64 - | 8 | 1 | BK1369 | Fitzgerald, Lawrence J.; Gerkin, Roger E. | Phenolphthalein and 3',3''-Dinitrophenolphthalein | Acta Crystallographica, Section C: Crystal Structure Communications | 1,998 | 54 | 4 | 535 | 539 | 10.1107/s0108270197015771 | 0.71073 | MoKα | null | 0.05 | null | null | null | 0.122 | null | null | null | null | null | 1.1 | null | null | has coordinates | Fitzgerald, Lawrence J.; Gerkin, Roger E.
Phenolphthalein and 3',3''-Dinitrophenolphthalein
Acta Crystallographica, Section C: Crystal Structure Communications
54(4)
(1998)
535-539 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,146 | 13.775 | 0.006 | 13.775 | 0.006 | 30.533 | 0.005 | 90 | null | 90 | null | 90 | null | 5,794 | 4 | 291 | 2 | 291 | 2 | null | null | null | null | 7 | I -4 2 d | I -4 2bw | 122 | bis(iodo)tetrakis{tris(dimethylamido)phosphineoxide}bismuth(III) pentaiodide | - C24 H72 Bi I7 N12 O4 P4 - | - C24 H72 Bi I7 N12 O4 P4 - | - C96 H288 Bi4 I28 N48 O16 P16 - | 4 | 0.25 | BM1163 | Louis J. Farrugia; Nicholas C. Norman; Nigel L. Pickett | Diiodotetrakis[tris(dimethylamino)phosphine oxide-<i>O</i>]bismuth(III) Pentaiodide, [BiI~2~{OP(NMe~2~)~3~}~4~][I~5~] | Acta Crystallographica Section C | 1,998 | 54 | 4 | 476 | 479 | 10.1107/S0108270197015485 | 0.71073 | MoKα | 0.0658 | 0.0305 | null | 0.0765 | 0.0659 | null | null | null | 1.001 | 1.081 | 1.081 | null | null | null | has coordinates | Louis J. Farrugia; Nicholas C. Norman; Nigel L. Pickett
Diiodotetrakis[tris(dimethylamino)phosphine oxide-<i>O</i>]bismuth(III) Pentaiodide, [BiI~2~{OP(NMe~2~)~3~}~4~][I~5~]
Acta Crystallographica Section C
54(4)
(1998)
476-479 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,147 | 11.0474 | 0.0011 | 15.6902 | 0.0012 | 15.093 | 0.0011 | 90 | null | 104.974 | 0.002 | 90 | null | 2,527.3 | 0.4 | 295 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C46 H60 Cu N10 Ni2 O12 - | - C46 H60 Cu N10 Ni2 O12 - | - C92 H120 Cu2 N20 Ni4 O24 - | 2 | 0.5 | BM1190 | Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Çakırer, Orhan | Bis[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]bis(dimethylformamide)di(μ-nitrito)copper(II)dinickel(II)–Dimethylformamide (1/2) | Acta Crystallographica Section C | 1,998 | 54 | 4 | 468 | 470 | 10.1107/S0108270197013218 | 0.71073 | MoKα | null | 0.033 | null | null | 0.04 | null | null | null | null | 0.93 | 0.93 | null | null | null | has coordinates | Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan; Çakırer, Orhan
Bis[μ-<i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediaminato]bis(dimethylformamide)di(μ-nitrito)copper(II)dinickel(II)–Dimethylformamide (1/2)
Acta Crystallographica Section C
54(4)
(1998)
468-470 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,067 | 10.2986 | 0.0013 | 10.354 | 0.0012 | 17.993 | 0.002 | 86.65 | 0.002 | 84.036 | 0.002 | 62.429 | 0.002 | 1,691.4 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Diphenyl (<i>o</i>-tolylamido)phosphonate | - C19 H18 N O3 P - | - C19 H18 N O3 P - | - C76 H72 N4 O12 P4 - | 4 | 2 | LH5229 | Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Zargaran, Poorya | Diphenyl (<i>o</i>-tolylamido)phosphonate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1170 | 10.1107/S1600536811013924 | 0.71073 | MoKα | 0.0488 | 0.0411 | null | null | 0.0991 | 0.1038 | null | null | null | null | null | 0.995 | null | null | has coordinates,has Fobs | Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Zargaran, Poorya
Diphenyl (<i>o</i>-tolylamido)phosphonate
Acta Crystallographica Section E
67(5)
(2011)
o1170 | 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/2/23/00/2230067.cif $
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2,007,148 | 22.711 | 0.006 | 15.498 | 0.005 | 14.642 | 0.004 | 90 | 0.02 | 117.97 | 0.02 | 90 | 0.02 | 4,552 | 2 | 294 | null | 294 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C26 H23 N5 O4 - | - C26 H23 N5 O4 - | - C208 H184 N40 O32 - | 8 | 1 | CF1173 | Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel | Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines | Acta Crystallographica Section C | 1,998 | 54 | 4 | 519 | 521 | 10.1107/S0108270197016491 | 0.71073 | MoKα | 0.148 | 0.055 | null | null | 0.066 | null | null | null | null | 1.783 | 1.783 | null | null | null | has coordinates,has Fobs | Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel
Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines
Acta Crystallographica Section C
54(4)
(1998)
519-521 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007148.cif $
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3,000,007 | 8.346 | 0.0008 | 10.1959 | 0.001 | 11.705 | 0.0011 | 100.431 | 0.001 | 97.247 | 0.002 | 94.369 | 0.001 | 966.73 | 0.16 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C32 H36 N14 O8 S2 Zn - | - C32 H36 N14 O8 S2 Zn - | - C32 H36 N14 O8 S2 Zn - | 1 | 0.5 | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas | H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition | Dalton Transactions | 2,012 | null | 10390 | 10395 | 10.1039/c2dt30992k | 0.71073 | MoKα | 0.0401 | 0.0368 | null | null | 0.0994 | 0.1017 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
(2012)
10390-10395 | 301,810 | 2025-08-19 | 19:21:35 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301810 $
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2,007,149 | 12.985 | 0.001 | 14.036 | 0.002 | 13.314 | 0.003 | 90 | 0.2 | 102.7 | 0.3 | 90 | 0.3 | 2,367 | 3 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C27 H25 Cl N4 O2 - | - C27 H25 Cl N4 O2 - | - C108 H100 Cl4 N16 O8 - | 4 | 1 | CF1173 | Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel | Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines | Acta Crystallographica Section C | 1,998 | 54 | 4 | 519 | 521 | 10.1107/S0108270197016491 | 0.71073 | MoKα | 0.194 | 0.049 | null | null | 0.065 | null | null | null | null | 1.877 | 1.877 | null | null | null | has coordinates,has Fobs | Essaber, Mohamed; Baouid, Abdesselam; Hasnaoui, Aïssa; Giorgi, Michel; Pierrot, Marcel
Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines
Acta Crystallographica Section C
54(4)
(1998)
519-521 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208377 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007149.cif $
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2,007,150 | 8.2178 | 0.0008 | 13.345 | 0.001 | 9.7934 | 0.0009 | 90 | null | 96.781 | 0.009 | 90 | null | 1,066.5 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 4-Methyl-7,10-dihydro-7,8-benzocoumarin | - C14 H12 O2 - | - C14 H12 O2 - | - C56 H48 O8 - | 4 | 1 | CF1186 | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan | 4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin | Acta Crystallographica Section C | 1,998 | 54 | 4 | 542 | 544 | 10.1107/S0108270197016508 | 0.71073 | MoKα | 0.0843 | 0.0379 | null | 0.1039 | 0.0902 | null | null | null | 0.852 | 1.061 | 1.061 | null | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin
Acta Crystallographica Section C
54(4)
(1998)
542-544 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007150.cif $
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2,007,151 | 10.959 | 0.001 | 12.963 | 0.001 | 7.9905 | 0.0008 | 90 | null | 106.081 | 0.009 | 90 | null | 1,090.73 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4-Methyl-7,10-dihydro-7,8-benzocoumarin-8,9-oxide | - C14 H12 O3 - | - C14 H12 O3 - | - C56 H48 O12 - | 4 | 1 | CF1186 | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan | 4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin | Acta Crystallographica Section C | 1,998 | 54 | 4 | 542 | 544 | 10.1107/S0108270197016508 | 0.71073 | MoKα | 0.0901 | 0.04 | null | 0.105 | 0.0909 | null | null | null | 0.828 | 1.056 | 1.056 | null | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
4-Methyl-7,10-dihydrobenzo[<i>h</i>]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[<i>h</i>]coumarin
Acta Crystallographica Section C
54(4)
(1998)
542-544 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,152 | 4.901 | 0.002 | 6.246 | 0.002 | 7.748 | 0.003 | 85.86 | 0.02 | 73.2 | 0.03 | 73.44 | 0.03 | 217.62 | 0.15 | 173 | null | 100 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | pyrrolidone | Pyrrolidin-2-one (1-aza-2-cyclopentanone) | - C4 H7 N O - | - C4 H7 N O - | - C8 H14 N2 O2 - | 2 | 1 | CF1205 | Richard Goddard; Oliver Heinemann; Carl Krüger; Ildikó Magdó; Franz Mark; Kurt Schaffner | A Low-Temperature Phase of 2-Pyrrolidone | Acta Crystallographica Section C | 1,998 | 54 | 4 | 501 | 504 | 10.1107/S010827019701651X | 0.71069 | MoKα | 0.0761 | 0.0664 | null | 0.2059 | 0.1946 | null | null | null | 1.228 | 1.273 | 1.273 | null | null | null | has coordinates | Richard Goddard; Oliver Heinemann; Carl Krüger; Ildikó Magdó; Franz Mark; Kurt Schaffner
A Low-Temperature Phase of 2-Pyrrolidone
Acta Crystallographica Section C
54(4)
(1998)
501-504 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,153 | 5.873 | 0.001 | 9.693 | 0.001 | 10.4561 | 0.0009 | 90 | null | 104.07 | 0.01 | 90 | null | 577.38 | 0.13 | 295 | null | 295 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C4 H3 N3 O4 - | - C4 H3 N3 O4 - | - C16 H12 N12 O16 - | 4 | 1 | CF1206 | Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M. | Two New Structures of 5-Nitrouracil | Acta Crystallographica Section C | 1,998 | 54 | 4 | 547 | 550 | 10.1107/S0108270197016521 | 0.71069 | MoKα | 0.0558 | 0.0363 | null | 0.0534 | 0.0506 | null | null | null | null | 1.95 | 1.95 | null | null | null | has coordinates | Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.
Two New Structures of 5-Nitrouracil
Acta Crystallographica Section C
54(4)
(1998)
547-550 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,066 | 8.0774 | 0.0003 | 12.6782 | 0.0005 | 14.4396 | 0.0005 | 114.157 | 0.002 | 92.879 | 0.002 | 100.384 | 0.002 | 1,314.4 | 0.09 | 296 | 2 | 296 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | 6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}- 2<i>H</i>-chromen-2-one chloroform monosolvate | - C26 H17 Br Cl3 N3 O2 S - | - C26 H17 Br Cl3 N3 O2 S - | - C52 H34 Br2 Cl6 N6 O4 S2 - | 2 | 1 | LH5227 | Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun | 6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}-2<i>H</i>-chromen-2-one chloroform monosolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1079 | o1080 | 10.1107/S1600536811012335 | 0.71073 | MoKα | 0.1411 | 0.0473 | null | null | 0.0982 | 0.1249 | null | null | null | null | null | 0.999 | null | null | has coordinates,has disorder,has Fobs | Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun
6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}-2<i>H</i>-chromen-2-one chloroform monosolvate
Acta Crystallographica Section E
67(5)
(2011)
o1079-o1080 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,007,154 | 8.858 | 0.001 | 6.9619 | 0.0006 | 15.822 | 0.001 | 90 | null | 95.823 | 0.008 | 90 | null | 970.68 | 0.15 | 295 | null | 295 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C6 H9 N3 O5 S - | - C6 H9 N3 O5 S - | - C24 H36 N12 O20 S4 - | 4 | 1 | CF1206 | Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M. | Two New Structures of 5-Nitrouracil | Acta Crystallographica Section C | 1,998 | 54 | 4 | 547 | 550 | 10.1107/S0108270197016521 | 0.71069 | MoKα | 0.035 | 0.0297 | null | 0.0502 | 0.0492 | null | null | null | null | 2.132 | 2.132 | null | null | null | has coordinates | Kennedy, Alan R.; Okoth, Maurice O.; Sheen, David B.; Sherwood, John N.; Vrcelj, Ranko M.
Two New Structures of 5-Nitrouracil
Acta Crystallographica Section C
54(4)
(1998)
547-550 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,155 | 7.808 | 0.002 | 7.056 | 0.002 | 11.09 | 0.003 | 90 | null | 108.14 | 0.03 | 90 | null | 580.6 | 0.3 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-Methyl-thio-1,2,4-triazine | - C4 H5 N3 S - | - C4 H5 N3 S - | - C16 H20 N12 S4 - | 4 | 1 | CF1207 | Palmer, Michael H.; Parsons, Simon; Smith, Susan; Blake, Alexander J.; Guest, Martyn F. | 3-Methylthio-1,2,4-triazine: a Comparison of Experimental and Theoretical Structures | Acta Crystallographica Section C | 1,998 | 54 | 4 | 550 | 553 | 10.1107/S0108270197016533 | 0.71073 | MoKα | 0.0347 | 0.029 | null | 0.0827 | 0.0777 | null | null | null | 1.055 | 1.072 | 1.072 | null | null | null | has coordinates | Palmer, Michael H.; Parsons, Simon; Smith, Susan; Blake, Alexander J.; Guest, Martyn F.
3-Methylthio-1,2,4-triazine: a Comparison of Experimental and Theoretical Structures
Acta Crystallographica Section C
54(4)
(1998)
550-553 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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3,000,006 | 8.4575 | 0.0007 | 8.9798 | 0.0011 | 10.8612 | 0.0008 | 109.345 | 0.001 | 107.577 | 0.001 | 101.978 | 0.001 | 697.24 | 0.12 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H32 N12 O10 Zn - | - C22 H32 N12 O10 Zn - | - C22 H32 N12 O10 Zn - | 1 | 0.5 | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas | H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition | Dalton Transactions | 2,012 | null | 10390 | 10395 | 10.1039/c2dt30992k | 0.71073 | MoKα | 0.0309 | 0.0303 | null | null | 0.08 | 0.0805 | null | null | null | null | null | 1.036 | null | null | has coordinates | Carmen R. Maldonado; Miguel Quiros; Juan M. Salas
H-bond superstructures built by aquacomplexes and an azapurine derivative: A case of molecular recognition
Dalton Transactions
(2012)
10390-10395 | 301,810 | 2025-08-19 | 19:21:34 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 22:21:09 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301810 $
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2,007,156 | 13.911 | 0.003 | 10.357 | 0.002 | 28.782 | 0.006 | 90 | null | 102.87 | 0.02 | 90 | null | 4,042.6 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C16 H8 Cl10 - | - C16 H8 Cl10 - | - C128 H64 Cl80 - | 8 | 1 | CF1209 | Wilson, Claire; Howard, Judith A. K. | Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer | Acta Crystallographica Section C | 1,998 | 54 | 4 | 544 | 547 | 10.1107/S0108270197016557 | 0.71073 | MoKα | 0.1211 | 0.0459 | null | 0.0735 | 0.058 | null | null | null | 1.304 | 1.427 | 1.427 | null | null | null | has coordinates,has Fobs | Wilson, Claire; Howard, Judith A. K.
Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer
Acta Crystallographica Section C
54(4)
(1998)
544-547 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,157 | 7.0543 | 0.0007 | 8.8125 | 0.0009 | 15.016 | 0.001 | 72.98 | 0.003 | 77.562 | 0.003 | 69.707 | 0.003 | 830.42 | 0.13 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C20 H16 Cl4 - | - C20 H16 Cl4 - | - C40 H32 Cl8 - | 2 | 1 | CF1209 | Wilson, Claire; Howard, Judith A. K. | Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer | Acta Crystallographica Section C | 1,998 | 54 | 4 | 544 | 547 | 10.1107/S0108270197016557 | 0.71073 | MoKα | 0.0411 | 0.0388 | null | 0.0992 | 0.0947 | null | null | null | 1.118 | 1.125 | 1.125 | null | null | null | has coordinates | Wilson, Claire; Howard, Judith A. K.
Two Dyotropomers Resulting from Irreversible Thermal (4σ+2π) 2H Group Transfer
Acta Crystallographica Section C
54(4)
(1998)
544-547 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,158 | 30.15 | 0.01 | 6.644 | 0.002 | 12.685 | 0.007 | 90 | null | 102.6 | 0.04 | 90 | null | 2,479.8 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | MEPHENTERMINE HEMISULFATE | - C11 H20 N O3 S0.5 - | - C11 H20 N O3 S0.5 - | - C88 H160 N8 O24 S4 - | 8 | 2 | DE1069 | Sengupta, Rakhi; Banerjee, Rahul; Dattagupta, J.K. | Mephentermine Hemisulfate Monohydrate: an Adrenergic Agent | Acta Crystallographica Section C | 1,998 | 54 | 4 | 497 | 499 | 10.1107/S0108270197015461 | 1.5418 | CuKα | 0.053 | 0.051 | null | 0.162 | 0.16 | null | null | null | 1.197 | 1.224 | 1.224 | null | null | null | has coordinates | Sengupta, Rakhi; Banerjee, Rahul; Dattagupta, J.K.
Mephentermine Hemisulfate Monohydrate: an Adrenergic Agent
Acta Crystallographica Section C
54(4)
(1998)
497-499 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,159 | 11.253 | 0.001 | 13.033 | 0.001 | 17.563 | 0.002 | 90 | null | 90 | null | 90 | null | 2,575.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | Bis(1,10-Phenantholine)-copper(ii) tetrathionate | - C24 H16 Cu N4 O6 S4 - | - C24 H16 Cu N4 O6 S4 - | - C96 H64 Cu4 N16 O24 S16 - | 4 | 0.5 | FG1333 | Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa | Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 464 | 468 | 10.1107/S0108270197016284 | 0.71073 | MoKα | 0.1011 | 0.0556 | null | 0.1803 | 0.1422 | null | null | null | 0.951 | 1.001 | 1.001 | null | null | null | has coordinates,has disorder | Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa
Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate
Acta Crystallographica Section C
54(4)
(1998)
464-468 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,160 | 11.232 | 0.004 | 13.569 | 0.006 | 14.654 | 0.006 | 99.67 | 0.01 | 99.44 | 0.01 | 109.75 | 0.01 | 2,012.6 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tris(1,10-Phenantholine)-copper(ii) tetrathionate, pentahydrate | - C36 H34 Cu N6 O11 S4 - | - C36 H34 Cu N6 O11 S4 - | - C72 H68 Cu2 N12 O22 S8 - | 2 | 1 | FG1333 | Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa | Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 464 | 468 | 10.1107/S0108270197016284 | 0.71073 | MoKα | 0.1168 | 0.0577 | null | 0.1576 | 0.1293 | null | null | null | 0.93 | 1.035 | 1.035 | null | null | null | has coordinates,has disorder | Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa
Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate and Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Tetrathionate Pentahydrate
Acta Crystallographica Section C
54(4)
(1998)
464-468 | 199,607 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $
#$Revision: 199607 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/71/2007160.cif $
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2,230,065 | 8.0597 | 0.0016 | 20.094 | 0.004 | 16.022 | 0.003 | 90 | null | 95.29 | 0.03 | 90 | null | 2,583.7 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV) | - C27 H24 N2 O7 Sn - | - C27 H24 N2 O7 Sn - | - C108 H96 N8 O28 Sn4 - | 4 | 1 | LH5223 | Danish, Muhammad; Ghafoor, Sabiha; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz | (Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m519 | 10.1107/S1600536811011184 | 0.71073 | MoKα | 0.1099 | 0.0365 | null | null | 0.1086 | 0.1328 | null | null | null | null | null | 1.042 | null | null | has coordinates,has Fobs | Danish, Muhammad; Ghafoor, Sabiha; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz
(Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV)
Acta Crystallographica Section E
67(5)
(2011)
m519 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
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2,007,161 | 31.877 | 0.007 | 31.877 | 0.007 | 9.614 | 0.001 | 90 | null | 90 | null | 120 | null | 8,460 | 3 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | - C16.33 H25 O4.17 Ru - | - C16.3333 H24 O4.16667 Ru - | - C294 H432 O75 Ru18 - | 18 | 1 | FG1341 | Meléndez, Enrique; Ilarraza, Raimundo; Yap, Glenn P.A.; Rheingold, Arnold L. | Bis(acetylacetonato-<i>O</i>,<i>O</i>')(η^4^-<i>trans</i>-2,4-hexadiene)ruthenium(II) 1/6-Ethanol Solvate | Acta Crystallographica Section C | 1,998 | 54 | 4 | 449 | 451 | 10.1107/S0108270197016958 | 0.71073 | MoKα | 0.1017 | 0.0514 | null | 0.1261 | 0.101 | null | null | null | 1.018 | 1.073 | 1.073 | null | null | null | has coordinates | Meléndez, Enrique; Ilarraza, Raimundo; Yap, Glenn P.A.; Rheingold, Arnold L.
Bis(acetylacetonato-<i>O</i>,<i>O</i>')(η^4^-<i>trans</i>-2,4-hexadiene)ruthenium(II) 1/6-Ethanol Solvate
Acta Crystallographica Section C
54(4)
(1998)
449-451 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,162 | 12.802 | 0.003 | 11.181 | 0.003 | 20.281 | 0.002 | 90 | null | 90 | null | 90 | null | 2,903 | 1.1 | 294 | null | 294 | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | - C18 H21 F O - | - C18 H21 F O - | - C144 H168 F8 O8 - | 8 | 2 | FG1351 | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie | Structure and Photochemistry of Four Adamantylacetophenones | Acta Crystallographica Section C | 1,998 | 54 | 4 | 491 | 496 | 10.1107/S0108270197015862 | 1.5418 | CuKα | null | 0.042 | null | null | null | 0.125 | null | null | null | null | null | 1.1 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
Structure and Photochemistry of Four Adamantylacetophenones
Acta Crystallographica Section C
54(4)
(1998)
491-496 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,163 | 11.617 | 0.002 | 6.643 | 0.006 | 20.868 | 0.002 | 90 | null | 103.27 | 0.01 | 90 | null | 1,567.4 | 1.5 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C19 H21 N O - | - C19 H21 N O - | - C76 H84 N4 O4 - | 4 | 1 | FG1351 | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie | Structure and Photochemistry of Four Adamantylacetophenones | Acta Crystallographica Section C | 1,998 | 54 | 4 | 491 | 496 | 10.1107/S0108270197015862 | 1.5418 | CuKα | null | 0.057 | null | null | null | 0.171 | null | null | null | null | null | 1.673 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie
Structure and Photochemistry of Four Adamantylacetophenones
Acta Crystallographica Section C
54(4)
(1998)
491-496 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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