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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4,321,979 | 7.2294 | 0.0002 | 11.4574 | 0.0004 | 14.9103 | 0.0006 | 90 | null | 90.341 | 0.005 | 90 | null | 1,235 | 0.07 | 293 | null | 293 | null | null | null | null | null | 5 | I 1 2/a 1 | -I 2ya | 15 | (bipy)Pt(edt) | (2,2'-bipyridyl)(ethylene-1,2-dithiolate)platinum(II) | - C12 H10 N2 Pt S2 - | - C12 H10 N2 Pt S2 - | - C48 H40 N8 Pt4 S8 - | 4 | 0.5 | Christopher E. Keefer; Robert D. Bereman; Suzanne T. Purrington; Brian W. Knight; Paul D. Boyle | The 195Pt NMR of L2Pt(1,2-dithiolene) Complexes | Inorganic Chemistry | 1,999 | 38 | 2294 | 2302 | 10.1021/ic980369d | 0.71073 | MolybdenumKα | 0.026 | 0.026 | null | 0.032 | 0.032 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Christopher E. Keefer; Robert D. Bereman; Suzanne T. Purrington; Brian W. Knight; Paul D. Boyle
The 195Pt NMR of L2Pt(1,2-dithiolene) Complexes
Inorganic Chemistry
38
(1999)
2294-2302 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,488 | 10.762 | 0.002 | 10.96 | 0.002 | 7.16 | 0.001 | 100.76 | 0.01 | 97.53 | 0.01 | 115.33 | 0.01 | 728.5 | 0.2 | 298.2 | null | 298.2 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C15 H16 N4 O3 Pd - | - C15 H16 N4 O3 Pd - | - C30 H32 N8 O6 Pd2 - | 2 | 1 | OA1076 | Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio | [1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue | Acta Crystallographica Section C | 1,999 | 55 | 5 | 719 | 722 | 10.1107/S0108270198016412 | 0.7107 | MoKα | null | 0.032 | null | null | null | 0.035 | null | null | null | null | null | 1.57 | null | null | has coordinates | Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio
[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue
Acta Crystallographica Section C
55(5)
(1999)
719-722 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,489 | 7.183 | 0.002 | 9.307 | 0.003 | 11.326 | 0.003 | 90 | null | 105.73 | 0.02 | 90 | null | 728.8 | 0.4 | 298.2 | null | 298.2 | null | null | null | null | null | 5 | P 1 2/n 1 | -P 2yac | 13 | - C15 H16 N4 Ni O3 - | - C14.5 H16 N4 Ni0.5 O2.5 - | - C29 H32 N8 Ni O5 - | 2 | 0.5 | OA1076 | Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio | [1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue | Acta Crystallographica Section C | 1,999 | 55 | 5 | 719 | 722 | 10.1107/S0108270198016412 | 0.7107 | MoKα | null | 0.043 | null | null | null | 0.045 | null | null | null | null | null | 1.674 | null | null | has coordinates | Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio
[1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue
Acta Crystallographica Section C
55(5)
(1999)
719-722 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,490 | 7.145 | 0.004 | 32.419 | 0.009 | 5.142 | 0.002 | 90 | null | 90 | null | 90 | null | 1,191.1 | 0.9 | 298.2 | null | 298.2 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 1,11-undecanediol | - C11 H24 O2 - | - C11 H24 O2 - | - C44 H96 O8 - | 4 | 1 | OB1004 | Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya | 1,11-Undecanediol | Acta Crystallographica Section C | 1,999 | 55 | 5 | 789 | 791 | 10.1107/S0108270198018253 | 1.5418 | CuKα | 0.066 | 0.0499 | null | 0.0771 | 0.07 | null | null | null | 1.334 | 1.38 | 1.38 | null | null | null | has coordinates | Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya
1,11-Undecanediol
Acta Crystallographica Section C
55(5)
(1999)
789-791 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,491 | 8.608 | 0.003 | 10.393 | 0.004 | 12.455 | 0.005 | 109.36 | 0.04 | 102.24 | 0.03 | 92.1 | 0.03 | 1,020.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10- octahydroisobenzofuro[5,6-g][1,4]benzodioxin-7-one | - C23 H24 O8 - | - C23 H24 O8 - | - C46 H48 O16 - | 2 | 1 | OS1046 | A. Sergi Capilla; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia | 10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10-octahydroisobenzofuro[5,6-<i>g</i>][1,4]benzodioxin-7-one | Acta Crystallographica Section C | 1,999 | 55 | 5 | 786 | 787 | 10.1107/S0108270198017296 | 0.71069 | MoKα | 0.067 | 0.057 | null | null | null | 0.141 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | A. Sergi Capilla; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia
10β-Hydroxy-6α-(3,4,5-trimethoxyphenyl)-2,3,6,6aα,7,9,9aβ,10-octahydroisobenzofuro[5,6-<i>g</i>][1,4]benzodioxin-7-one
Acta Crystallographica Section C
55(5)
(1999)
786-787 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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7,106,483 | 10.3622 | 0.0007 | 11.2452 | 0.0008 | 11.8058 | 0.0009 | 73.036 | 0.003 | 79.538 | 0.003 | 84.082 | 0.003 | 1,292.1 | 0.16 | 143 | 2 | 143 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C20 H20 B N4 O13 P2 - | - C20 H20 B N4 O13 P2 - | - C40 H40 B2 N8 O26 P4 - | 2 | 1 | Ralf Haiges; Katarzyna M. Blazewska; Boris A. Kashemirov; Frank H. Ebetino; Charles E. McKenna | A serendipitous phosphonocarboxylate complex of boron: when vessel becomes reagent | Chem.Commun. | 2,011 | 47 | 6395 | 10.1039/c1cc10876j | 0.71073 | MoKα | 0.1142 | 0.0777 | null | null | 0.2124 | 0.2362 | null | null | null | null | null | 1.013 | null | null | has coordinates | Ralf Haiges; Katarzyna M. Blazewska; Boris A. Kashemirov; Frank H. Ebetino; Charles E. McKenna
A serendipitous phosphonocarboxylate complex of boron: when vessel becomes reagent
Chem.Commun.
47
(2011)
6395 | 180,168 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,492 | 7.6235 | 0.0015 | 7.9661 | 0.0016 | 7.9712 | 0.0016 | 106.71 | 0.03 | 108.96 | 0.03 | 95.64 | 0.03 | 428.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H16 Cl2 Cu N4 O8 - | - C12 H16 Cl2 Cu N4 O8 - | - C12 H16 Cl2 Cu N4 O8 - | 1 | 0.5 | QA0091 | Huai-Ming Hu; De-Liang Long; Hui-Yi Zeng; Wen-Dan Cheng; Jin-Shun Huang | A redetermination of bis(2-aminomethylpyridine)diperchloratocopper(II) | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900049 | 10.1107/S0108270199099485 | 0.71073 | MoKα | 0.054 | 0.036 | null | null | null | 0.083 | null | null | null | null | null | 1.048 | null | null | has coordinates | Huai-Ming Hu; De-Liang Long; Hui-Yi Zeng; Wen-Dan Cheng; Jin-Shun Huang
A redetermination of bis(2-aminomethylpyridine)diperchloratocopper(II)
Acta Crystallographica Section C
55(5)
(1999)
IUC9900049 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,493 | 14.06 | 0.0009 | 26.4879 | 0.0016 | 32.732 | 0.002 | 90 | null | 90 | null | 90 | null | 12,190 | 1.3 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate | Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate | - C9 H30 Cl2 N6 Ni O8 - | - C9 H30 Cl2 N6 Ni O8 - | - C216 H720 Cl48 N144 Ni24 O192 - | 24 | 3 | QA0097 | Olof Kristiansson | Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900038 | 10.1107/S0108270199099539 | 0.71073 | MoKα | 0.104 | 0.06 | null | null | null | 0.195 | null | null | null | null | null | 1.03 | null | null | has coordinates | Olof Kristiansson
Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate
Acta Crystallographica Section C
55(5)
(1999)
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2,008,494 | 7.4603 | 0.0005 | 9.5852 | 0.0006 | 10.4734 | 0.0006 | 90 | null | 106.713 | 0.005 | 90 | null | 717.3 | 0.08 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 7-aminothiazolino[3,2a]pyrimidin-5-one | - C6 H7 N3 O S - | - C6 H7 N3 O S - | - C24 H28 N12 O4 S4 - | 4 | 1 | QA0108 | Low, John Nicolson; Ferguson, George; Melguizo, Manuel; Sanchez, Adolfo | 7-Amino-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900048 | 10.1107/S0108270199099461 | 0.71073 | MoKα | 0.054 | 0.038 | null | null | null | 0.127 | null | null | null | null | null | 1.32 | null | null | has coordinates | Low, John Nicolson; Ferguson, George; Melguizo, Manuel; Sanchez, Adolfo
7-Amino-2,3-dihydro-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-one
Acta Crystallographica Section C
55(5)
(1999)
IUC9900048 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,495 | 11.586 | 0.001 | 15.48 | 0.002 | 15.408 | 0.001 | 90 | null | 103.436 | 0.008 | 90 | null | 2,687.8 | 0.5 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 5-Ethyl-2-phenyl-3-trifluoromethyl-1-(2,4,6-trichlorophenyl)-1H- 1,2,4-triazolium hexachloroantimonate | - C17 H12 Cl9 F3 N3 Sb - | - C17 H12 Cl9 F3 N3 Sb - | - C68 H48 Cl36 F12 N12 Sb4 - | 4 | 1 | QA0110 | Xian-Jun Liu; Yu-Bo Fan; Yi Liu; Quan-Rui Wang | 5-Ethyl-2-phenyl-1-(2,4,6-trichlorophenyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazolium hexachloroantimonate | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900047 | 10.1107/S0108270199099473 | 0.7107 | MoKα | null | 0.03 | null | null | 0.038 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Xian-Jun Liu; Yu-Bo Fan; Yi Liu; Quan-Rui Wang
5-Ethyl-2-phenyl-1-(2,4,6-trichlorophenyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazolium hexachloroantimonate
Acta Crystallographica Section C
55(5)
(1999)
IUC9900047 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,321,978 | 10.225 | 0.002 | 11.312 | 0.002 | 11.797 | 0.002 | 117.08 | 0.03 | 96.42 | 0.03 | 107.53 | 0.03 | 1,107.6 | 0.6 | 213 | 2 | 213 | 2 | null | null | null | null | synthesis | 5 | P -1 | -P 1 | 2 | Tetrakis (ortho)-fluorophenylformamidinate dichromium (II) | - C52 H36 Cr2 F8 N8 - | - C52 H36 Cr2 F8 N8 - | - C52 H36 Cr2 F8 N8 - | 1 | 0.5 | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual | Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands | Inorganic Chemistry | 1,999 | 38 | 2182 | 2187 | 10.1021/ic990007l | 0.71073 | MoKα | 0.0763 | 0.0625 | null | 0.1637 | 0.1471 | null | null | null | 1.105 | 1.099 | 1.099 | null | null | null | has coordinates | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual
Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands
Inorganic Chemistry
38
(1999)
2182-2187 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,008,496 | 10.649 | 0.002 | 5.8777 | 0.0016 | 14.8257 | 0.0015 | 90 | null | 107.705 | 0.01 | 90 | null | 884 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N,N'-dibenzenesulfonylputrescine | N-{4-[(benzenesulfonyl)amino]butyl}benzenesulfonamide | - C16 H20 N2 O4 S2 - | - C16 H20 N2 O4 S2 - | - C32 H40 N4 O8 S4 - | 2 | 0.5 | QA0111 | Linden, Anthony; Bienz, Stefan | <i>N</i>,<i>N</i>'-Dibenzenesulfonylputrescine | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900046 | 10.1107/S010827019909945X | 0.71069 | MoKα | 0.06 | 0.036 | null | null | null | 0.105 | null | null | null | null | null | 1.027 | null | null | has coordinates | Linden, Anthony; Bienz, Stefan
<i>N</i>,<i>N</i>'-Dibenzenesulfonylputrescine
Acta Crystallographica Section C
55(5)
(1999)
IUC9900046 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,497 | 8.695 | 0.0008 | 12.1085 | 0.0015 | 12.4538 | 0.0011 | 80.905 | 0.007 | 86.368 | 0.009 | 84.22 | 0.009 | 1,286.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Hydrated,bis[(diethylenetrimine)copper]-μ-(1,3-imidazolate-N,N') triperchlorate | - C11 H29 Cl3 Cu2 N8 O13 - | - C11 H27 Cl3 Cu2 N8 O13 - | - C22 H54 Cl6 Cu4 N16 O26 - | 2 | 1 | Bu, Weiming; Ye, Ling; Zhu, Hailiang; Yang, Guangdi; Fan, Yuguo; Tang, Wenxia | μ-1,3-Imidazolyl-κN:κN'-bis[(diethylenetriaminato-κ^3^N)copper] triperchlorate hydrate | Acta Crystallographica, Section C: Crystal Structure Communications | 1,999 | 55 | 5 | IUC9900045 | 10.1107/s0108270199099527 | 0.71073 | MoKα | 0.0548 | 0.0426 | null | 0.0654 | 0.0521 | null | null | null | 1.015 | 1.156 | 1.156 | null | 2,003,107 | null | has coordinates | Bu, Weiming; Ye, Ling; Zhu, Hailiang; Yang, Guangdi; Fan, Yuguo; Tang, Wenxia
μ-1,3-Imidazolyl-κN:κN'-bis[(diethylenetriaminato-κ^3^N)copper] triperchlorate hydrate
Acta Crystallographica, Section C: Crystal Structure Communications
55(5)
(1999)
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2,008,498 | 8.1864 | 0.0006 | 18.141 | 0.002 | 9.3307 | 0.0007 | 90 | null | 103.662 | 0.006 | 90 | null | 1,346.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis{[2-(1,5-diazacyclooctane)methyl phenol]copper}-di(μ-(end-on)azide) | - C26 H38 Cu2 N10 O2 - | - C26 H38 Cu2 N10 O2 - | - C52 H76 Cu4 N20 O4 - | 2 | 0.5 | QB0072 | Weiming Bu; Ling Ye; Qiang Xu; Xianhe Bu; Guangdi Yang; Yuguo Fan | Bis(μ-azido-κ<i>N</i>^1^:κ<i>N</i>^1^)bis{[2-(1,5-diazacyclooct-1-yl-κ^2^<i>N</i>,<i>N</i>'-methyl)phenolato-κ<i>O</i>]copper(II)} | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900044 | 10.1107/S0108270199099515 | 0.71073 | MoKα | 0.051 | 0.041 | null | 0.065 | 0.05 | null | null | null | 1.002 | 1.028 | 1.028 | null | null | null | has coordinates | Weiming Bu; Ling Ye; Qiang Xu; Xianhe Bu; Guangdi Yang; Yuguo Fan
Bis(μ-azido-κ<i>N</i>^1^:κ<i>N</i>^1^)bis{[2-(1,5-diazacyclooct-1-yl-κ^2^<i>N</i>,<i>N</i>'-methyl)phenolato-κ<i>O</i>]copper(II)}
Acta Crystallographica Section C
55(5)
(1999)
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2,008,499 | 8.332 | 0.002 | 13.766 | 0.003 | 17.264 | 0.004 | 90 | null | 90 | 0.03 | 90 | null | 1,980.2 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21 1 | P 2yb | 4 | Sodium hydrogen dichloro(ethylenediaminetetra-acetate) ruthenium(III) eneahydrate | - C20 H47 Cl4 N4 Na O25 Ru2 - | - C20 H46 Cl4 N4 Na O25 Ru2 - | - C40 H92 Cl8 N8 Na2 O50 Ru4 - | 2 | 1 | QB0080 | Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo | Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')ruthenium(III)] nonahydrate | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900051 | 10.1107/S0108270199099503 | 0.71073 | MoKα | 0.023 | 0.023 | null | null | null | 0.062 | null | null | null | null | null | 1.082 | null | null | has coordinates | Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo
Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')ruthenium(III)] nonahydrate
Acta Crystallographica Section C
55(5)
(1999)
IUC9900051 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,321,977 | 9.689 | 0.009 | 13.703 | 0.01 | 16.844 | 0.01 | 69.9 | 0.1 | 87.1 | 0.06 | 70.13 | 0.06 | 1,970 | 3 | 213 | 2 | 213 | 2 | null | null | null | null | synthesis | 5 | P 1 | P 1 | 1 | - C100.82 H76 Cl1.65 Cr2 N8 - | - C100.83 H76 Cl1.66 Cr2 N8 - | - C100.83 H76 Cl1.66 Cr2 N8 - | 1 | 1 | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual | Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands | Inorganic Chemistry | 1,999 | 38 | 2182 | 2187 | 10.1021/ic990007l | 0.71073 | MoKα | 0.1272 | 0.0965 | null | 0.2595 | 0.2248 | null | null | null | 1.064 | 1.067 | 1.067 | null | null | null | has coordinates | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual
Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands
Inorganic Chemistry
38
(1999)
2182-2187 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,500 | 6.318 | 0.004 | 15.69 | 0.04 | 11.161 | 0.006 | 90 | null | 103.48 | 0.05 | 90 | null | 1,076 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 3β,4β-epoxy-7-oxo-7a-oxa-5β-cholanoic acid | - C24 H36 O5 - | - C24 H36 O5 - | - C48 H72 O10 - | 2 | 1 | QB0082 | Angel Dago Morales; Santiago García-Granda; Roxana Pérez Gil; Francisco Coll-Manchado | 3β,4β-Epoxy-7-oxo-7a-oxa-7a-homo-5β-cholan-24-oic acid | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900043 | 10.1107/S0108270199099448 | 0.71073 | MoKα | 0.107 | 0.053 | null | null | null | 0.155 | null | null | null | null | null | 1.034 | null | null | has coordinates | Angel Dago Morales; Santiago García-Granda; Roxana Pérez Gil; Francisco Coll-Manchado
3β,4β-Epoxy-7-oxo-7a-oxa-7a-homo-5β-cholan-24-oic acid
Acta Crystallographica Section C
55(5)
(1999)
IUC9900043 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,501 | 10.361 | 0.01 | 13.044 | 0.01 | 18.806 | 0.006 | 90 | null | 90 | null | 90 | null | 2,542 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (25R)-3β-Bromo-5α-spirostan-6,23-dione | - C27 H39 Br O4 - | - C27 H39 Br O4 - | - C108 H156 Br4 O16 - | 4 | 1 | QB0083 | Angel Dago Morales; Santiago García-Granda; Martín Andrés Iglesias-Arteaga; Francisco Coll-Manchado | (25<i>R</i>)-3β-Bromo-5α-spirostan-6,23-dione | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900042 | 10.1107/S0108270199099436 | 0.71073 | MoKα | 0.305 | 0.041 | null | null | null | 0.107 | null | null | null | null | null | 0.929 | null | null | has coordinates,has Fobs | Angel Dago Morales; Santiago García-Granda; Martín Andrés Iglesias-Arteaga; Francisco Coll-Manchado
(25<i>R</i>)-3β-Bromo-5α-spirostan-6,23-dione
Acta Crystallographica Section C
55(5)
(1999)
IUC9900042 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,502 | 6.001 | 0.003 | 12.107 | 0.004 | 22.995 | 0.005 | 90 | null | 90 | null | 90 | null | 1,670.7 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (S,S)-Ferrocenyl[methyl(1-phenyl-ethyl)amino]acetonitrile | - C21 H22 Fe N2 - | - C21 H22 Fe N2 - | - C84 H88 Fe4 N8 - | 4 | 1 | QB0089 | Howell, James A. S.; Humphries, Kristina; McArdle, Patrick; Cunningham, Desmond; Walsh, Martin; Daly, Pearl | (<i>S</i>,<i>S</i>)-Ferrocenyl[methyl(1-phenylethyl)amino]acetonitrile | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900050 | 10.1107/S0108270199099497 | 0.5 | synchrotron | 0.032 | 0.029 | null | null | null | 0.074 | null | null | null | null | null | 1.004 | null | null | has coordinates | Howell, James A. S.; Humphries, Kristina; McArdle, Patrick; Cunningham, Desmond; Walsh, Martin; Daly, Pearl
(<i>S</i>,<i>S</i>)-Ferrocenyl[methyl(1-phenylethyl)amino]acetonitrile
Acta Crystallographica Section C
55(5)
(1999)
IUC9900050 | 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/2/00/85/2008502.cif $
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2,008,503 | 20.62 | 0.006 | 13.147 | 0.004 | 9.601 | 0.005 | 90 | null | 101.14 | 0.03 | 90 | null | 2,553.7 | 1.7 | 293 | 2 | 294 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C13 H12 Cl N3 O2 - | - C13 H12 Cl N3 O2 - | - C104 H96 Cl8 N24 O16 - | 8 | 1 | QB0090 | Benakli, K.; Crozet, M. P.; Vanelle, P.; Giorgi, M. | (<i>E</i>)-2-[2-(4-Chloromethylphenyl)vinyl]-1-methyl-5-nitro-1<i>H</i>-imidazole | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900041 | 10.1107/S0108270199099424 | 0.71073 | MoKα | 0.084 | 0.051 | null | null | null | 0.148 | null | null | null | null | null | 1.063 | null | null | has coordinates | Benakli, K.; Crozet, M. P.; Vanelle, P.; Giorgi, M.
(<i>E</i>)-2-[2-(4-Chloromethylphenyl)vinyl]-1-methyl-5-nitro-1<i>H</i>-imidazole
Acta Crystallographica Section C
55(5)
(1999)
IUC9900041 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,976 | 9.606 | 0.0012 | 9.727 | 0.001 | 13.606 | 0.0011 | 69.249 | 0.01 | 73.85 | 0.02 | 84.25 | 0.02 | 1,141.9 | 0.2 | 213 | 2 | 213 | 2 | null | null | null | null | synthesis | 5 | P -1 | -P 1 | 2 | - C52 H28 Cr2 F8 N8 - | - C52 H28 Cr2 F8 N8 - | - C52 H28 Cr2 F8 N8 - | 1 | 0.5 | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual | Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands | Inorganic Chemistry | 1,999 | 38 | 2182 | 2187 | 10.1021/ic990007l | 0.71073 | MoKα | 0.147 | 0.1188 | null | 0.3497 | 0.3184 | null | null | null | 1.189 | 1.241 | 1.241 | null | null | null | has coordinates | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual
Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands
Inorganic Chemistry
38
(1999)
2182-2187 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
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2,008,504 | 11.337 | 0.002 | 9.96 | 0.002 | 11.423 | 0.002 | 90 | null | 117.15 | 0.01 | 90 | null | 1,147.7 | 0.4 | 297 | null | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | 4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione | - C13 H18 O2 - | - C13 H18 O2 - | - C52 H72 O8 - | 4 | 1 | QB0094 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | <i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900039 | 10.1107/S0108270199099412 | 0.71073 | MoKα | null | 0.065 | null | null | null | 0.076 | null | null | null | null | null | 1.09 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
<i>cis</i>-4,4-Dimethyltricyclo[6.3.0.0^1,7^]undecane-2,6-dione
Acta Crystallographica Section C
55(5)
(1999)
IUC9900039 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,505 | 10.994 | 0.002 | 6.718 | 0.002 | 16.824 | 0.002 | 90 | null | 102.59 | 0.01 | 90 | null | 1,212.7 | 0.4 | 297 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione | - C12 H17 Br O2 - | - C12 H17 Br O2 - | - C48 H68 Br4 O8 - | 4 | 1 | QB0095 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | 3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV) | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900040 | 10.1107/S0108270199099400 | 0.71073 | MoKα | null | 0.054 | null | null | null | 0.069 | null | null | null | null | null | 1.31 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)
Acta Crystallographica Section C
55(5... | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,506 | 7.186 | 0.001 | 18.104 | 0.002 | 9.569 | 0.002 | 90 | null | 97.34 | 0.02 | 90 | null | 1,234.7 | 0.3 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 5-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione | - C12 H17 Br O2 - | - C12 H17 Br O2 - | - C48 H68 Br4 O8 - | 4 | 1 | QB0095 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | 3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV) | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900040 | 10.1107/S0108270199099400 | 0.71073 | MoKα | null | 0.057 | null | null | null | 0.074 | null | null | null | null | null | 1.31 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)
Acta Crystallographica Section C
55(5... | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,975 | 10.8274 | 0.001 | 13.739 | 0.002 | 18.152 | 0.004 | 83.25 | 0.01 | 75.61 | 0.02 | 70.426 | 0.01 | 2,462.6 | 0.7 | 213 | 2 | 213 | 2 | null | null | null | null | synthesis | 5 | P -1 | -P 1 | 2 | - C55.5 H28 Cr2 F16 N8 - | - C55.458 H28 Cr2 F16 N8 - | - C110.916 H56 Cr4 F32 N16 - | 2 | 1 | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual | Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands | Inorganic Chemistry | 1,999 | 38 | 2182 | 2187 | 10.1021/ic990007l | 0.71073 | MoKα | 0.0496 | 0.0441 | null | 0.1128 | 0.1068 | null | null | null | 1.037 | 1.055 | 1.055 | null | null | null | has coordinates | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual
Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands
Inorganic Chemistry
38
(1999)
2182-2187 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,008,507 | 16.027 | 0.003 | 11.741 | 0.004 | 14.477 | 0.003 | 90 | null | 102.56 | 0.01 | 90 | null | 2,659 | 1.2 | 298 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 3,5-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione | - C12 H16 Br2 O2 - | - C12 H16 Br2 O2 - | - C96 H128 Br16 O16 - | 8 | 1 | QB0095 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | 3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV) | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900040 | 10.1107/S0108270199099400 | 0.71073 | MoKα | null | 0.055 | null | null | null | 0.085 | null | null | null | null | null | 1.88 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)
Acta Crystallographica Section C
55(5... | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,508 | 7.228 | 0.002 | 15.875 | 0.003 | 5.851 | 0.002 | 99.57 | 0.03 | 98.31 | 0.03 | 77.2 | 0.02 | 641.5 | 0.3 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,7-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione | - C12 H16 Br2 O2 - | - C12 H16 Br2 O2 - | - C24 H32 Br4 O4 - | 2 | 1 | QB0095 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | 3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV) | Acta Crystallographica Section C | 1,999 | 55 | 5 | IUC9900040 | 10.1107/S0108270199099400 | 0.71073 | MoKα | null | 0.041 | null | null | null | 0.055 | null | null | null | null | null | 1.23 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV)
Acta Crystallographica Section C
55(5... | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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4,321,974 | 25.252 | 0.065 | 26.752 | 0.012 | 28.567 | 0.042 | 90 | null | 90 | null | 90 | null | 19,298 | 6 | 213 | 2 | 213 | 2 | null | null | null | null | synthesis | 5 | F d d d :2 | -F 2uv 2vw | 70 | - C52 H36 Cr2 F8 N8 - | - C52 H36 Cr2 F8 N8 - | - C832 H576 Cr32 F128 N128 - | 16 | 0.5 | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual | Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands | Inorganic Chemistry | 1,999 | 38 | 2182 | 2187 | 10.1021/ic990007l | 0.71073 | MoKα | 0.1052 | 0.094 | null | 0.2585 | 0.2466 | null | null | null | 1.152 | 1.214 | 1.214 | null | null | null | has coordinates | F. Albert Cotton; Carlos A. Murillo; Isabel Pascual
Quadruply Bonded Dichromium Complexes with Variously Fluorinated Formamidinate Ligands
Inorganic Chemistry
38
(1999)
2182-2187 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321974.cif $
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2,008,509 | 21.797 | 0.004 | 17.904 | 0.004 | 12.497 | 0.002 | 90 | null | 112.59 | 0.03 | 90 | null | 4,502.8 | 1.8 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | aqua(2,2'-bipyrimidine-N,N')(2,6-di(2-pyridyl)-pyridineN,N',N'') dicopper(II) tetraperchlorate | - C38 H30 Cl4 Cu2 N10 O17 - | - C38 H30 Cl4 Cu2 N10 O17 - | - C152 H120 Cl16 Cu8 N40 O68 - | 4 | 0.5 | SK1194 | Francese, Giancarlo; Schmalle, Helmut W.; Decurtins, Silvio | A copper(II) dimer: aqua(μ-2,2'-bipyrimidine-<i>N</i>,<i>N</i>')(perchlorato)bis{[2,6-bis(2-pyridyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)} triperchlorate | Acta Crystallographica Section C | 1,999 | 55 | 5 | 730 | 733 | 10.1107/S0108270199000530 | 0.71073 | MoKα | 0.1036 | 0.0461 | null | null | null | 0.1478 | null | null | null | null | null | 1.029 | null | null | has coordinates,has disorder | Francese, Giancarlo; Schmalle, Helmut W.; Decurtins, Silvio
A copper(II) dimer: aqua(μ-2,2'-bipyrimidine-<i>N</i>,<i>N</i>')(perchlorato)bis{[2,6-bis(2-pyridyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)} triperchlorate
Acta Crystallographica Section C
55(5)
(1999)
730-733 | 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/2/00/85/2008509.cif $
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2,008,510 | 12.9 | 0.002 | 18.135 | 0.002 | 21.822 | 0.004 | 90 | null | 97.42 | 0.01 | 90 | null | 5,062.3 | 1.3 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | catena-poly[triphenyltin-μ-(N,N-diethylthiocarbamoylthioacetato)-O:O'] | - C25 H27 N O2 S2 Sn - | - C25 H27 N O2 S2 Sn - | - C200 H216 N8 O16 S16 Sn8 - | 8 | 2 | SK1233 | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M. | <i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin | Acta Crystallographica Section C | 1,999 | 55 | 5 | 744 | 748 | 10.1107/S0108270199002954 | 0.71073 | MoKα | 0.1 | 0.058 | null | null | null | 0.166 | null | null | null | null | null | 1.009 | null | null | has coordinates | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.
<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetrame... | 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/2/00/85/2008510.cif $
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4,321,973 | 11.738 | 0.003 | 14.503 | 0.004 | 19.731 | 0.004 | 90 | null | 90 | null | 90 | null | 3,358.9 | 1.4 | 203 | null | 203 | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C17 H22 Cl Cu N3 O - | - C17 H22 Cl Cu N3 O - | - C136 H176 Cl8 Cu8 N24 O8 - | 8 | 1 | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green | Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes | Inorganic Chemistry | 1,999 | 38 | 2071 | 2078 | 10.1021/ic981324f | 0.71073 | Mo-Kα | null | 0.086 | null | null | null | 0.278 | null | null | null | null | null | 1.183 | null | null | has coordinates | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green
Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes
Inorganic Chemistry
38
(1999)
2071-2078 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321973.cif $
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2,008,511 | 17.019 | 0.002 | 18.466 | 0.002 | 18.921 | 0.002 | 71.952 | 0.007 | 72.482 | 0.008 | 73.333 | 0.009 | 5,267.3 | 1.1 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | catena-poly[(triphenyltin-μ-N-methyl-N-phenyldithiocarbamoylacetato)-O:O'] | - C28 H25 N O2 S2 Sn - | - C28 H25 N O2 S2 Sn - | - C224 H200 N8 O16 S16 Sn8 - | 8 | 4 | SK1233 | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M. | <i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin | Acta Crystallographica Section C | 1,999 | 55 | 5 | 744 | 748 | 10.1107/S0108270199002954 | 0.71073 | MoKα | 0.097 | 0.052 | null | null | null | 0.124 | null | null | null | null | null | 1.002 | null | null | has coordinates | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.
<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetrame... | 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/2/00/85/2008511.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,512 | 9.7442 | 0.0003 | 9.8923 | 0.0005 | 13.3187 | 0.0004 | 107.064 | 0.004 | 95.246 | 0.003 | 97.153 | 0.004 | 1,206.62 | 0.09 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | (N,N-tetramethylenethiocarbamoylthioacetato)triphenyltin | - C25 H25 N O2 S2 Sn - | - C25 H25 N O2 S2 Sn - | - C50 H50 N2 O4 S4 Sn2 - | 2 | 1 | SK1233 | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M. | <i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetramethylenethiocarbamoylthioacetato-<i>O</i>)tin | Acta Crystallographica Section C | 1,999 | 55 | 5 | 744 | 748 | 10.1107/S0108270199002954 | 0.71073 | MoKα | 0.024 | 0.021 | null | null | null | 0.057 | null | null | null | null | null | 1.003 | null | null | has coordinates | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng; Hook, James M.
<i>catena</i>-Poly[triphenyltin-μ-(<i>N</i>,<i>N</i>-diethylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')], <i>catena</i>-poly[triphenyltin-μ-(<i>N</i>-methyl-<i>N</i>-phenylthiocarbamoylthioacetato-<i>O</i>:<i>O</i>')] and triphenyl(<i>N</i>,<i>N</i>-tetrame... | 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/2/00/85/2008512.cif $
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4,321,972 | 9.158 | 0.002 | 10.714 | 0.002 | 19.085 | 0.004 | 90 | null | 90.582 | 0.015 | 90 | null | 1,872.5 | 0.7 | 296 | null | 296 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H22 B Cu F4 N3 O - | - C17 H22 B Cu F4 N3 O - | - C68 H88 B4 Cu4 F16 N12 O4 - | 4 | 1 | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green | Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes | Inorganic Chemistry | 1,999 | 38 | 2071 | 2078 | 10.1021/ic981324f | 0.71073 | MO-Kα | null | 0.08 | null | null | null | 0.209 | null | null | null | null | null | 1.012 | null | null | has coordinates | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green
Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes
Inorganic Chemistry
38
(1999)
2071-2078 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321972.cif $
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2,008,513 | 7.654 | 0.002 | 11.578 | 0.002 | 17.771 | 0.003 | 90 | null | 90 | null | 90 | null | 1,574.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Polimeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^] dicadmium(II) Trihydrate | - C8 H16 Cd2 O16 - | - C8 H8 Cd2 O16 - | - C32 H32 Cd8 O64 - | 4 | 1 | SK1241 | González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Eulalio | Polymeric aqua-1κ<i>O</i>-bis[μ-(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II) trihydrate | Acta Crystallographica Section C | 1,999 | 55 | 5 | 710 | 712 | 10.1107/S0108270199000542 | 0.71069 | MoKα | 0.0285 | 0.028 | null | 0.0717 | null | 0.0717 | null | null | 1.204 | null | null | 1.204 | null | null | has coordinates,has Fobs | González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Eulalio
Polymeric aqua-1κ<i>O</i>-bis[μ-(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II) trihydrate
Acta Crystallographica Section C
55(5)
(1999)
710-712 | 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/2/00/85/2008513.cif $
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2,008,514 | 6.8228 | 0.0001 | 7.1672 | 0.0002 | 31.9396 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,561.86 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Pipemidic Acid Hydrochloride | - C14 H18 Cl N5 O3 - | - C14 H18 Cl N5 O3 - | - C56 H72 Cl4 N20 O12 - | 4 | 1 | SK1259 | Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng | Pipemidic acid hydrochloride | Acta Crystallographica Section C | 1,999 | 55 | 5 | 766 | 768 | 10.1107/S0108270198018277 | 0.71073 | MoKα | 0.055 | 0.049 | null | null | null | 0.13 | null | null | null | null | null | 1.118 | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng
Pipemidic acid hydrochloride
Acta Crystallographica Section C
55(5)
(1999)
766-768 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$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/2/00/85/2008514.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,515 | 22.2132 | 0.0015 | 12.9986 | 0.0013 | 8.5456 | 0.0005 | 90 | null | 96.107 | 0.005 | 90 | null | 2,453.5 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 5,5,6-Triacetyl-5,6-diaminopyrimidine-2,4-(1H,3H)-dione | - C10 H12 N4 O5 - | - C10 H12 N4 O5 - | - C80 H96 N32 O40 - | 8 | 1 | SK1260 | Low, John Nicolson; Ferguson, George; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo | 6-Acetylamino-5-(diacetylamino)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione | Acta Crystallographica Section C | 1,999 | 55 | 5 | 749 | 751 | 10.1107/S0108270198018290 | 0.71073 | MoKα | 0.0765 | 0.0426 | null | null | null | 0.1087 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Low, John Nicolson; Ferguson, George; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo
6-Acetylamino-5-(diacetylamino)pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
Acta Crystallographica Section C
55(5)
(1999)
749-751 | 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/2/00/85/2008515.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,516 | 11.9991 | 0.0002 | 9.0405 | 0.0002 | 12.0566 | 0.0002 | 90 | null | 99.472 | 0.001 | 90 | null | 1,290.04 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione | - C13 H20 O3 - | - C13 H20 O3 - | - C52 H80 O12 - | 4 | 1 | SK1261 | Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan | 2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione | Acta Crystallographica Section C | 1,999 | 55 | 5 | 772 | 774 | 10.1107/S0108270198018289 | 0.71073 | MoKα | 0.092 | 0.057 | null | null | null | 0.172 | null | null | null | null | null | 0.981 | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan
2-Ethyl-2-(3-oxobutyl)cycloheptane-1,3-dione
Acta Crystallographica Section C
55(5)
(1999)
772-774 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$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/2/00/85/2008516.cif $
#-------------------------------------------------------------------... | ||||||||||
4,321,971 | 9.1471 | 0.0004 | 10.3753 | 0.0003 | 10.5352 | 0.0005 | 107.2 | 0.003 | 91.193 | 0.002 | 105.052 | 0.003 | 917.17 | 0.07 | 296 | null | 296 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C34 H44 B2 Cu2 F8 N6 O2 - | - C34 H44 B2 Cu2 F8 N6 O2 - | - C34 H44 B2 Cu2 F8 N6 O2 - | 1 | 0.5 | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green | Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes | Inorganic Chemistry | 1,999 | 38 | 2071 | 2078 | 10.1021/ic981324f | 0.71073 | MO-Kα | null | 0.074 | null | null | null | 0.208 | null | null | null | null | null | 1.04 | null | null | has coordinates | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green
Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes
Inorganic Chemistry
38
(1999)
2071-2078 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321971.cif $
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2,008,517 | 11.5436 | 0.0004 | 18.282 | 0.0006 | 8.2935 | 0.0003 | 90 | null | 107.141 | 0.001 | 90 | null | 1,672.52 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-(p-Methoxyphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole | - C19 H15 N5 O - | - C19 H15 N5 O - | - C76 H60 N20 O4 - | 4 | 1 | SK1269 | Hoong-Kun Fun; Kandasamy Chinnakali; Sichang Shao; Dunru Zhu; Xiao Zeng You | 4-(<i>p</i>-Methoxyphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole | Acta Crystallographica Section C | 1,999 | 55 | 5 | 770 | 772 | 10.1107/S0108270199001821 | 0.71073 | MoKα | 0.074 | 0.046 | null | null | null | 0.12 | null | null | null | null | null | 1.029 | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Sichang Shao; Dunru Zhu; Xiao Zeng You
4-(<i>p</i>-Methoxyphenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section C
55(5)
(1999)
770-772 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$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/2/00/85/2008517.cif $
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2,008,518 | 9.9485 | 0.0006 | 9.3724 | 0.0006 | 20.3571 | 0.0011 | 90 | null | 98.605 | 0.006 | 90 | null | 1,876.8 | 0.2 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,2'-Biphenol–1,10-phenanthroline (1/1). | - C24 H18 N2 O2 - | - C24 H18 N2 O2 - | - C96 H72 N8 O8 - | 4 | 1 | SK1270 | Lavender, Emma S.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher | 2,2'-Biphenol–1,10-phenanthroline (1/1): a two-dimensional structure built up from three types of hydrogen bond and π–π stacking interactions | Acta Crystallographica Section C | 1,999 | 55 | 5 | 751 | 754 | 10.1107/S0108270199002942 | 0.7107 | MoKα | 0.081 | 0.039 | null | null | null | 0.107 | null | null | null | null | null | 1.022 | null | null | has coordinates | Lavender, Emma S.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher
2,2'-Biphenol–1,10-phenanthroline (1/1): a two-dimensional structure built up from three types of hydrogen bond and π–π stacking interactions
Acta Crystallographica Section C
55(5)
(1999)
751-754 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$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/2/00/85/2008518.cif $
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2,008,519 | 7.3635 | 0.0007 | 9.8643 | 0.001 | 11.4142 | 0.0015 | 110.845 | 0.008 | 99.069 | 0.012 | 92.998 | 0.009 | 759.83 | 0.16 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,4,8,11-Tetraazacyclotetradecane–2,2'-biphenol (1/2) | - C34 H44 N4 O4 - | - C34 H44 N4 O4 - | - C34 H44 N4 O4 - | 1 | 0.5 | SK1271 | Ferguson, George; Gregson, Richard M.; Glidewell, Christopher | A chain of fused <i>R</i>^2^~2~(10) and <i>R</i>^4^~6~(12) rings in the hydrogen-bonded structure of 1,4,8,11-tetraazacyclotetradecane–2,2'-biphenol (1/2) | Acta Crystallographica Section C | 1,999 | 55 | 5 | 815 | 817 | 10.1107/S0108270199001833 | 0.71073 | MoKα | 0.074 | 0.043 | null | null | null | 0.111 | null | null | null | null | null | 1.03 | null | null | has coordinates | Ferguson, George; Gregson, Richard M.; Glidewell, Christopher
A chain of fused <i>R</i>^2^~2~(10) and <i>R</i>^4^~6~(12) rings in the hydrogen-bonded structure of 1,4,8,11-tetraazacyclotetradecane–2,2'-biphenol (1/2)
Acta Crystallographica Section C
55(5)
(1999)
815-817 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$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/2/00/85/2008519.cif $
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4,321,970 | 13.849 | 0.0004 | 13.6093 | 0.0004 | 19.5583 | 0.0005 | 90 | null | 92.336 | 0.002 | 90 | null | 3,683.19 | 0.18 | 296 | null | 296 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C34 H42 N8 Ni2 O8 - | - C34 H42 N9 Ni2 O12 - | - C136 H168 N36 Ni8 O48 - | 4 | 0.5 | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green | Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes | Inorganic Chemistry | 1,999 | 38 | 2071 | 2078 | 10.1021/ic981324f | 0.71073 | MO-Kα | null | 0.054 | null | null | null | 0.154 | null | null | null | null | null | 1.093 | null | null | has coordinates | Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green
Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes
Inorganic Chemistry
38
(1999)
2071-2078 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
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2,008,520 | 12.748 | 0.002 | 6.11 | 0.003 | 14.87 | 0.006 | 90 | null | 99.51 | 0.02 | 90 | null | 1,142.3 | 0.8 | 100 | null | 100 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | dl-3-[[2,5-dihydro-3-methyl-2-oxo-5-furanyl]oxo]methylene-3,3a,6,6a- tetrahydro-2H-cyclopenta[b]furan-2-one | - C13 H12 O5 - | - C13 H12 O5 - | - C52 H48 O20 - | 4 | 1 | SX1062 | Rugutt, Joseph K.; Fronczek, Frank R.; Yarabe, Houphouet H.; Shamsi, Shahab A.; Henry III, Charles W.; Billiot, Eugene J.; Warner, Isiah M. | A racemic strigol analogue at 100K | Acta Crystallographica Section C | 1,999 | 55 | 5 | 759 | 761 | 10.1107/S0108270199001341 | 0.71073 | Mo-Kα | 0.063 | 0.05 | null | 0.056 | 0.055 | null | null | null | 1.992 | 1.976 | 1.976 | null | null | null | has coordinates | Rugutt, Joseph K.; Fronczek, Frank R.; Yarabe, Houphouet H.; Shamsi, Shahab A.; Henry III, Charles W.; Billiot, Eugene J.; Warner, Isiah M.
A racemic strigol analogue at 100K
Acta Crystallographica Section C
55(5)
(1999)
759-761 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,521 | 21.205 | 0.004 | 37.941 | 0.008 | 12.227 | 0.002 | 90 | null | 90 | null | 90 | null | 9,837 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | TNLP | Theonellapeptolide-Id | - C70 H149 N13 O28 - | - C70 H125 N13 O27.65 - | - C280 H500 N52 O110.6 - | 4 | 1 | SX1064 | Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson | The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i> | Acta Crystallographica Section C | 1,999 | 55 | 5 | 796 | 798 | 10.1107/S0108270198014383 | 1.5418 | CuKα | 0.136 | 0.113 | null | null | null | 0.287 | null | null | null | null | null | 1.02 | null | null | has coordinates,has disorder | Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson
The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i>
Acta Crystallographica Section C
55(5)
(1999)
796-798 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,522 | 5.869 | 0.001 | 22.53 | 0.003 | 8.753 | 0.001 | 90 | null | 98.67 | 0.01 | 90 | null | 1,144.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | PHTU | 1-(2-Pyridyl)-3-phenylthiourea | - C12 H11 N3 S - | - C12 H11 N3 S - | - C48 H44 N12 S4 - | 4 | 1 | SX1068 | West, Douglas X.; Hermetet, Anne K.; Ackerman, Lily J.; Valdés-Martínez, Jesús; Hernández-Ortega, Simón | 3-Phenyl-1-(2-pyridyl)thiourea | Acta Crystallographica Section C | 1,999 | 55 | 5 | 811 | 813 | 10.1107/S0108270198018083 | 0.71073 | MoKα | 0.08 | 0.05 | null | null | 0.13 | 0.149 | null | null | null | null | null | 1.072 | null | null | has coordinates | West, Douglas X.; Hermetet, Anne K.; Ackerman, Lily J.; Valdés-Martínez, Jesús; Hernández-Ortega, Simón
3-Phenyl-1-(2-pyridyl)thiourea
Acta Crystallographica Section C
55(5)
(1999)
811-813 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,969 | 8.9342 | 0.0013 | 13.0426 | 0.0014 | 13.386 | 0.002 | 90 | null | 90 | null | 90 | null | 1,559.8 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 5a | - C17 H20 N2 O Ru - | - C17 H20 N2 O Ru - | - C68 H80 N8 O4 Ru4 - | 4 | 1 | Heather D. Hansen; Kalyani Maitra; John H. Nelson | Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry | Inorganic Chemistry | 1,999 | 38 | 2150 | 2156 | 10.1021/ic981304d | 0.71073 | MoKα | 0.0678 | 0.0408 | null | 0.0692 | 0.0604 | null | null | null | 1.02 | 1.051 | 1.051 | null | null | null | has coordinates | Heather D. Hansen; Kalyani Maitra; John H. Nelson
Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry
Inorganic Chemistry
38
(1999)
2150-2156 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
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2,008,523 | 8.144 | 0.002 | 10.004 | 0.002 | 24.101 | 0.005 | 90 | null | 90 | null | 90 | null | 1,963.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | acetylated illustrol | 3'-14-epoxy-4',15-dioxaandrost-5-en-3β-yl acetate | - C22 H30 O5 - | - C22 H30 O5 - | - C88 H120 O20 - | 4 | 1 | SX1075 | Vencato, Ivo; Niero, Rivaldo; Montanari, João L.; Calixto, João B.; Sant'Ana, Antonio E. G.; Yunes, Rosendo A. | A new 14:15-seco-15-norpregnane derivative from <i>Mandevilla illustris</i> Woodson (Apocynaceae) | Acta Crystallographica Section C | 1,999 | 55 | 5 | 827 | 829 | 10.1107/S0108270199000529 | 0.71073 | MoKα | 0.067 | 0.045 | null | null | null | 0.143 | null | null | null | null | null | 1.069 | null | null | has coordinates | Vencato, Ivo; Niero, Rivaldo; Montanari, João L.; Calixto, João B.; Sant'Ana, Antonio E. G.; Yunes, Rosendo A.
A new 14:15-seco-15-norpregnane derivative from <i>Mandevilla illustris</i> Woodson (Apocynaceae)
Acta Crystallographica Section C
55(5)
(1999)
827-829 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,524 | 10.399 | 0.003 | 14.467 | 0.005 | 14.216 | 0.006 | 90 | null | 104.27 | 0.03 | 90 | null | 2,072.7 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Cis-(Nitrato-O,O')(C-rac-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) Nitrate | - C14 H32 N6 Ni O6 - | - C14 H32 N6 Ni O6 - | - C56 H128 N24 Ni4 O24 - | 4 | 0.5 | TA1219 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun | <i>cis</i>-(Nitrato-<i>O</i>,<i>O</i>')[(1<i>RS</i>,4<i>SR</i>,5<i>SR</i>,8<i>RS</i>,11<i>SR</i>,12<i>SR</i>)-<i>C</i>-<i>rac</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) nitrate | Acta Crystallographica Section C | 1,999 | 55 | 5 | 724 | 726 | 10.1107/S0108270198014449 | 0.71073 | MoKα | 0.0435 | 0.0369 | null | null | null | 0.1035 | null | null | null | null | null | 1.075 | null | null | has coordinates | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun
<i>cis</i>-(Nitrato-<i>O</i>,<i>O</i>')[(1<i>RS</i>,4<i>SR</i>,5<i>SR</i>,8<i>RS</i>,11<i>SR</i>,12<i>SR</i>)-<i>C</i>-<i>rac</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) nitrate
Acta Crysta... | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,525 | 10.594 | 0.002 | 7.461 | 0.004 | 22.92 | 0.005 | 90 | null | 90 | null | 90 | null | 1,811.6 | 1.1 | 153.2 | null | 153.2 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C2 H10 N4 O6 S - | - C2 H10 N4 O6 S - | - C16 H80 N32 O48 S8 - | 8 | 1 | BK1397 | Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E. | Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 994 | 996 | 10.1107/S0108270198014619 | 0.7107 | MoKα | 0.0411 | 0.023 | null | 0.066 | null | 0.034 | null | null | 2.217 | null | null | 2.44 | null | null | has coordinates | Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.
Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)
Acta Crystallographica Section C
55(6)
(1999)
994-996 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,526 | 13.702 | 0.003 | 14.167 | 0.003 | 10.598 | 0.002 | 90 | null | 97.34 | 0.03 | 90 | null | 2,040.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H15 F3 Na2 O11 S2 - | - C13 H15 F3 Na2 O11 S2 - | - C52 H60 F12 Na8 O44 S8 - | 4 | 1 | BK1421 | Wang, Feng; Qi, Yinghua; Chen, Tianlu; Xing, Yan; Lin, Yonghua; Xu, Jiping | Disodium 4,4'-difluoro-3,3'-carbonyldibenzenesulfonate hydrofluoride tetrahydrate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 871 | 873 | 10.1107/S0108270198016710 | 0.71073 | MoKα | 0.0553 | 0.0407 | null | 0.1274 | 0.1216 | null | null | null | 1.009 | 1.113 | 1.113 | null | null | null | has coordinates | Wang, Feng; Qi, Yinghua; Chen, Tianlu; Xing, Yan; Lin, Yonghua; Xu, Jiping
Disodium 4,4'-difluoro-3,3'-carbonyldibenzenesulfonate hydrofluoride tetrahydrate
Acta Crystallographica Section C
55(6)
(1999)
871-873 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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4,321,968 | 10.1105 | 0.0012 | 10.1873 | 0.001 | 15.66 | 0.002 | 90 | null | 91.524 | 0.008 | 90 | null | 1,612.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 4a | - C17 H20 N2 Ru S - | - C17 H20 N2 Ru S - | - C68 H80 N8 Ru4 S4 - | 4 | 2 | Heather D. Hansen; Kalyani Maitra; John H. Nelson | Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry | Inorganic Chemistry | 1,999 | 38 | 2150 | 2156 | 10.1021/ic981304d | 0.71073 | MoKα | 0.0554 | 0.0402 | null | 0.0882 | 0.0786 | null | null | null | 1.072 | 1.016 | 1.016 | null | null | null | has coordinates | Heather D. Hansen; Kalyani Maitra; John H. Nelson
Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry
Inorganic Chemistry
38
(1999)
2150-2156 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
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2,008,527 | 8.951 | 0.0018 | 10.8181 | 0.0016 | 16.585 | 0.003 | 77.735 | 0.014 | 81.298 | 0.016 | 73.906 | 0.015 | 1,500.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Hexakis(imidazole)nickel(II) oxydiacetate ethanol solvate | - C24 H34 N12 Ni O6 - | - C23.04 H30.6 N12 Ni O5.52 - | - C46.08 H61.2 N24 Ni2 O11.04 - | 2 | 1 | BK1429 | Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa | Hexakis(imidazole-<i>N</i>^3^)nickel(II) oxydiacetate ethanol solvate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 858 | 860 | 10.1107/S0108270199001420 | 0.71073 | MoKα | 0.076 | 0.049 | null | null | null | 0.147 | null | null | null | null | null | 1.077 | null | null | has coordinates | Perec, Mireille; Baggio, Ricardo; Garland, Maria Teresa
Hexakis(imidazole-<i>N</i>^3^)nickel(II) oxydiacetate ethanol solvate
Acta Crystallographica Section C
55(6)
(1999)
858-860 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,528 | 3.8724 | 0.0002 | 12.0839 | 0.0005 | 18.4079 | 0.0006 | 90 | null | 91.412 | 0.002 | 90 | null | 861.11 | 0.06 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | naphthalene-2,3-dicarbaldehyde | - C12 H8 O2 - | - C12 H8 O2 - | - C48 H32 O8 - | 4 | 1 | BK1446 | Britton, Doyle | Naphthalene-2,3-dicarbaldehyde | Acta Crystallographica Section C | 1,999 | 55 | 6 | 978 | 980 | 10.1107/S0108270199000840 | 0.71073 | MoKα | 0.047 | 0.039 | null | 0.108 | 0.101 | null | null | null | 1.06 | 1.08 | 1.08 | null | null | null | has coordinates | Britton, Doyle
Naphthalene-2,3-dicarbaldehyde
Acta Crystallographica Section C
55(6)
(1999)
978-980 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,529 | 12.922 | 0.002 | 13.914 | 0.002 | 14.263 | 0.006 | 65.05 | 0.02 | 73.3 | 0.03 | 64.59 | 0.01 | 2,082.4 | 1 | 295 | null | 295 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C16 H12 F3 N2 O8 Re S - | - C16 H8 F3 N2 O7.995 Re S - | - C64 H32 F12 N8 O31.98 Re4 S4 - | 4 | 2 | BK1449 | Connick, William B.; Di Bilio, Angel J.; Schaefer, William P.; Gray, Harry B. | The red form of [Re(phen)(CO)~3~(H~2~O)]CF~3~SO~3~^.^H~2~O | Acta Crystallographica Section C | 1,999 | 55 | 6 | 913 | 916 | 10.1107/S0108270199001432 | 0.7107 | MoKα | 0.058 | 0.058 | null | 0.075 | 0.075 | null | null | null | 1.66 | 1.66 | 1.66 | null | null | null | has coordinates | Connick, William B.; Di Bilio, Angel J.; Schaefer, William P.; Gray, Harry B.
The red form of [Re(phen)(CO)~3~(H~2~O)]CF~3~SO~3~^.^H~2~O
Acta Crystallographica Section C
55(6)
(1999)
913-916 | 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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2,008,530 | 11.148 | 0.002 | 14.47 | 0.01 | 11.08 | 0.01 | 110.13 | 0.06 | 96.85 | 0.03 | 81.97 | 0.04 | 1,657 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tetra-μ-[(2,6-dichlorophenyl)amino-phenyl(acetato-O,O')]-bis(acetone-O) -di-copper(II), acetaldeyde solvate | - C64 H56 Cl8 Cu2 N4 O11 - | - C64 H56 Cl8 Cu2 N4 O11 - | - C64 H56 Cl8 Cu2 N4 O11 - | 1 | 0.5 | BM1274 | Castellari, Carlo; Feroci, Giorgio; Ottani, Stefano | Diclofenac interactions: tetrakis[μ-2-(2,6-dichloroanilino)phenylacetato]-1:2κ^8^<i>O</i>:<i>O</i>'-diacetone-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)(<i>Cu</i>—<i>Cu</i>) acetaldehyde solvate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 907 | 910 | 10.1107/S0108270199002206 | 0.71069 | MoKα | 0.137 | 0.042 | null | null | null | 0.11 | null | null | null | null | null | 0.902 | null | null | has coordinates,has disorder | Castellari, Carlo; Feroci, Giorgio; Ottani, Stefano
Diclofenac interactions: tetrakis[μ-2-(2,6-dichloroanilino)phenylacetato]-1:2κ^8^<i>O</i>:<i>O</i>'-diacetone-1κ<i>O</i>,2κ<i>O</i>-dicopper(II)(<i>Cu</i>—<i>Cu</i>) acetaldehyde solvate
Acta Crystallographica Section C
55(6)
(1999)
907-910 | 301,791 | 2025-08-18 | 23:15:32 | #------------------------------------------------------------------------------
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2,008,531 | 13.82 | 0.001 | 9.3728 | 0.0011 | 15.308 | 0.0012 | 90 | null | 92.144 | 0.002 | 90 | null | 1,981.5 | 0.3 | 295 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H16 Cu I2 N2 O2 Zn - | - C17 H16 Cu I2 N2 O2 Zn - | - C68 H64 Cu4 I8 N8 O8 Zn4 - | 4 | 1 | BM1298 | Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit | {[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 930 | 932 | 10.1107/S0108270199002851 | 0.71073 | MoKα | null | 0.04 | null | null | 0.044 | null | null | null | null | 0.98 | 0.98 | null | null | null | has coordinates | Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit
{[μ-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}diiodozinc(II)
Acta Crystallographica Section C
55(6)
(1999)
930-932 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/85/2008531.cif $
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4,321,967 | 7.303 | null | 14.337 | 0.001 | 8.167 | 0.001 | 90 | null | 92.25 | 0.01 | 90 | null | 854.45 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 3a | - C17 H23 N2 O3 Ru - | - C17 H23 N2 O3 Ru - | - C34 H46 N4 O6 Ru2 - | 2 | 1 | Heather D. Hansen; Kalyani Maitra; John H. Nelson | Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry | Inorganic Chemistry | 1,999 | 38 | 2150 | 2156 | 10.1021/ic981304d | 0.71073 | MoKα | 0.0191 | 0.0184 | null | 0.047 | 0.0462 | null | null | null | 1.016 | 1.018 | 1.018 | null | null | null | has coordinates | Heather D. Hansen; Kalyani Maitra; John H. Nelson
Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry
Inorganic Chemistry
38
(1999)
2150-2156 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321967.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,008,532 | 8.4341 | 0.0001 | 15.5112 | 0.0003 | 11.4293 | 0.0001 | 90 | null | 90.397 | 0.001 | 90 | null | 1,495.18 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C17 H18 O4 - | - C17 H18 O4 - | - C68 H72 O16 - | 4 | 1 | Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit | {[μ-Bis(salicylidene)-1,3-propanediaminato]copper(II)}diiodozinc(II) | Acta Crystallographica Section C | 1,999 | 55 | 930 | 932 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ercan, Filiz; Arıcı, Cengiz; Ülkü, Dinçer; Atakol, Orhan; Aksu, Mecit
{[μ-Bis(salicylidene)-1,3-propanediaminato]copper(II)}diiodozinc(II)
Acta Crystallographica Section C
55
(1999)
930-932 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008532.cif $
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2,008,533 | 14.835 | 0.002 | 7.157 | 0.003 | 14.971 | 0.003 | 90 | null | 103.05 | 0.04 | 90 | null | 1,548.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Oleana-13(18), 15(16)-diene-3β, 28-diol diacetate | - C34 H52 O4 - | - C34 H52 O4 - | - C68 H104 O8 - | 2 | 1 | BM1304 | Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara | Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 992 | 994 | 10.1107/S0108270199002255 | 1.54178 | CuKα | 0.1122 | 0.0539 | null | 0.1716 | 0.1247 | null | null | null | 0.822 | 1.048 | 1.048 | null | null | null | has coordinates,has disorder,has Fobs | Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Bocelli, Gabriele; Righi, Lara
Dimethyl oleana-13(18),15(16)-diene-3β,28-diacetate
Acta Crystallographica Section C
55(6)
(1999)
992-994 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008533.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,534 | 7.9607 | 0.0002 | 9.9649 | 0.0002 | 14.2553 | 0.0003 | 86.208 | 0.001 | 79.818 | 0.001 | 73.889 | 0.001 | 1,069.14 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-Acetyl-6-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl 4-toluenesulfonate | - C25 H24 O4 S - | - C25 H24 O4 S - | - C50 H48 O8 S2 - | 2 | 1 | BM1306 | Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T. | 2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 944 | 946 | 10.1107/S0108270199001791 | 0.71073 | MoKα | 0.123 | 0.07 | null | null | null | 0.195 | null | null | null | null | null | 1.014 | null | null | has coordinates | Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.
2-Acetyl-6-phenyl-5,6,7,8-tetrahydro-1-naphthyl <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
55(6)
(1999)
944-946 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008534.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,535 | 10.412 | 0.001 | 8.516 | 0.001 | 21.556 | 0.001 | 90 | null | 101.223 | 0.01 | 90 | null | 1,874.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-ethyl-5-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)-methynyl]- 2,4-triazolidindione | - C20 H25 N O2 S - | - C20 H25 N O2 S - | - C80 H100 N4 O8 S4 - | 4 | 1 | BM1315 | Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R | 3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione | Acta Crystallographica Section C | 1,999 | 55 | 6 | 1027 | 1029 | 10.1107/S0108270199002267 | 0.71069 | MoKα | 0.068 | 0.0521 | null | 0.1674 | null | 0.1516 | null | null | 1.049 | null | null | 1.093 | null | null | has coordinates,has disorder,has Fobs | Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R
3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione
Acta Crystallographica Section C
55(6)
(1999)
1027-1029 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008535.cif $
#-------------------------------------------------------------------... | ||||||||||
4,321,966 | 9.269 | 0.001 | 12.773 | 0.002 | 13.142 | 0.001 | 90 | null | 90 | null | 90 | null | 1,555.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2a | - C16 H20 N4 Ru - | - C16 H20 N4 Ru - | - C64 H80 N16 Ru4 - | 4 | 1 | Heather D. Hansen; Kalyani Maitra; John H. Nelson | Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry | Inorganic Chemistry | 1,999 | 38 | 2150 | 2156 | 10.1021/ic981304d | 0.71073 | MoKα | 0.0381 | 0.029 | null | 0.0551 | 0.0521 | null | null | null | 1.039 | 1.044 | 1.044 | null | null | null | has coordinates | Heather D. Hansen; Kalyani Maitra; John H. Nelson
Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry
Inorganic Chemistry
38
(1999)
2150-2156 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321966.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,008,536 | 11.662 | 0.005 | 14.323 | 0.007 | 8.7 | 0.004 | 90 | 0.03 | 94.57 | 0.04 | 90 | 0.03 | 1,448.6 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | N-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid | - C18 H12 N2 O - | - C18 H12 N2 O - | - C72 H48 N8 O4 - | 4 | 1 | BM1318 | Borbulevych, Oleg Ya.; Golding, Igor R.; Kharitonkin, Andrey B.; Shishkin, Oleg V.; Gololobov, Yuriy G. | The <i>N</i>-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid | Acta Crystallographica Section C | 1,999 | 55 | 6 | 1019 | 1020 | 10.1107/S0108270199002218 | 0.71073 | MoKα | 0.1255 | 0.0487 | null | 0.1521 | null | 0.1131 | null | null | 0.86 | null | null | 1.092 | null | null | has coordinates,has Fobs | Borbulevych, Oleg Ya.; Golding, Igor R.; Kharitonkin, Andrey B.; Shishkin, Oleg V.; Gololobov, Yuriy G.
The <i>N</i>-phenylamide of 2-cyano-5-phenylpent-2-en-4-ynoic acid
Acta Crystallographica Section C
55(6)
(1999)
1019-1020 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008536.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,537 | 9.529 | 0.002 | 16.354 | 0.005 | 13.719 | 0.005 | 90 | null | 105.13 | 0.01 | 90 | null | 2,063.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Bis(n-butyl)(dichloro)(2,2'-bipyridyl)tin(IV) | - C18 H26 Cl2 N2 Sn - | - C18 H26 Cl2 N2 Sn - | - C72 H104 Cl8 N8 Sn4 - | 4 | 1 | BM1319 | Jennifer Gill; Hans Parge; Christine J. Cardin; Chris Tsiamis; Constantin Kavounis | (2,2'-Bipyridyl-<i>N</i>,<i>N</i>')di-<i>n</i>-butyldichlorotin(IV) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 875 | 876 | 10.1107/S010827019900325X | 0.71073 | MoKα | 0.065 | 0.054 | null | null | null | 0.158 | null | null | null | null | null | 1.119 | null | null | has coordinates,has disorder,has Fobs | Jennifer Gill; Hans Parge; Christine J. Cardin; Chris Tsiamis; Constantin Kavounis
(2,2'-Bipyridyl-<i>N</i>,<i>N</i>')di-<i>n</i>-butyldichlorotin(IV)
Acta Crystallographica Section C
55(6)
(1999)
875-876 | 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/2/00/85/2008537.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,538 | 6.142 | 0.001 | 6.142 | 0.001 | 14.395 | 0.002 | 90 | null | 90 | null | 120 | null | 470.29 | 0.13 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P 63 m c | P 6c -2c | 186 | potassium oxo antimonide | - K4 O3 Sb2 - | - K4 O3 Sb2 - | - K8 O6 Sb4 - | 2 | 0.166667 | BR1231 | Tillard, Monique; Monconduit, Laure; Traber, Boris; Belin, Claude | K~4~Sb~2~O~3~ containing the Sb~2~O~3~^4-^ anion | Acta Crystallographica Section C | 1,999 | 55 | 6 | 833 | 835 | 10.1107/S0108270198018484 | 0.71073 | MoKα | 0.086 | 0.048 | null | null | null | 0.126 | null | null | null | null | null | 1.133 | null | null | has coordinates | Tillard, Monique; Monconduit, Laure; Traber, Boris; Belin, Claude
K~4~Sb~2~O~3~ containing the Sb~2~O~3~^4-^ anion
Acta Crystallographica Section C
55(6)
(1999)
833-835 | 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/2/00/85/2008538.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,539 | 7.274 | 0.0011 | 7.2911 | 0.0011 | 18.551 | 0.003 | 96.375 | 0.009 | 90.714 | 0.009 | 119.656 | 0.008 | 847.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | sodium tungsten oxide | - Na5 O44 W14 - | - Na5 O44 W14 - | - Na5 O44 W14 - | 1 | 0.5 | BR1234 | Triantafyllou, Spyros T.; Christidis, Panayiotis C. | Triclinic sodium tungsten oxide, Na~5~W~14~O~44~ | Acta Crystallographica Section C | 1,999 | 55 | 6 | 838 | 841 | 10.1107/S0108270199002760 | 0.7107 | MoKα | 0.09 | 0.063 | null | null | null | 0.159 | null | null | null | null | null | 1.004 | null | null | has coordinates | Triantafyllou, Spyros T.; Christidis, Panayiotis C.
Triclinic sodium tungsten oxide, Na~5~W~14~O~44~
Acta Crystallographica Section C
55(6)
(1999)
838-841 | 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/2/00/85/2008539.cif $
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2,008,540 | 5.221 | 0.001 | 9.983 | 0.001 | 7.388 | 0.001 | 90 | null | 90.21 | 0.004 | 90 | null | 385.07 | 0.1 | 150 | null | 150 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | sodium cobalt(II) phosphate | - Co Na O4 P - | - Co Na O4 P - | - Co4 Na4 O16 P4 - | 4 | 1 | BR1238 | Chippindale, Ann M.; Cowley, Andrew R.; Chen, Jiesheng; Gao, Qiuming; Xu, Ruren | A new modification of NaCoPO~4~ with the zeolite ABW structure | Acta Crystallographica Section C | 1,999 | 55 | 6 | 845 | 847 | 10.1107/S010827019900414X | 0.71069 | MoKα | null | 0.0182 | null | null | 0.02 | null | null | null | null | 1.0847 | 1.0847 | null | null | null | has coordinates | Chippindale, Ann M.; Cowley, Andrew R.; Chen, Jiesheng; Gao, Qiuming; Xu, Ruren
A new modification of NaCoPO~4~ with the zeolite ABW structure
Acta Crystallographica Section C
55(6)
(1999)
845-847 | 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/2/00/85/2008540.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,541 | 18.793 | 0.002 | 18.793 | 0.002 | 18.793 | 0.002 | 90 | null | 90 | null | 90 | null | 6,637.3 | 1.2 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P a -3 | -P 2ac 2ab 3 | 205 | - C27 H36 Cl4 Fe2 N6 - | - C27 H36 Cl4 Fe2 N6 - | - C216 H288 Cl32 Fe16 N48 - | 8 | 0.333333 | CF1275 | Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H. | Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^ | Acta Crystallographica Section C | 1,999 | 55 | 6 | 886 | 889 | 10.1107/S0108270198018381 | 0.71073 | MoKα | 0.088 | 0.063 | null | 0.173 | 0.157 | null | null | null | 1.094 | 1.165 | 1.165 | null | null | null | has coordinates,has disorder,has Fobs | Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.
Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^
Acta Crystallographica Section C
55(6)
(1999)
886-889 | 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/2/00/85/2008541.cif $
#-------------------------------------------------------------------... | |||||||||||
4,321,965 | 16.6625 | 0.001 | 10.613 | 0.0006 | 17.8888 | 0.001 | 90 | null | 100.83 | 0.001 | 90 | null | 3,107.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | Bis(diprotonated1,4-diazabicyclo(2.2.2)octane)vanadyl(IV)tetra(hydrogen phosphate)hydrogenboratetetrahydrate | - C12 H41 B3 N4 O25 P4 V - | - C12 H33 B3 N4 O24.682 P4 V - | - C48 H132 B12 N16 O98.728 P16 V4 - | 4 | 1 | Ranko P. Bontchev; Junghwan Do; Allan J. Jacobson | Synthesis and Characterization of a Borophosphate Anion Containing a Single Vanadium Atom: [N~2~C~6~H~14~]~2~[VO(PO~3~OH)~4~(B~3~O~3~OH)]4H~2~O | Inorganic Chemistry | 1,999 | 38 | 2231 | 2233 | 10.1021/ic981278j | 0.71073 | MoKα | 0.053 | 0.0382 | null | 0.0976 | 0.0907 | null | null | null | 1.056 | 1.095 | 1.095 | null | null | null | has coordinates | Ranko P. Bontchev; Junghwan Do; Allan J. Jacobson
Synthesis and Characterization of a Borophosphate Anion Containing a Single Vanadium Atom: [N~2~C~6~H~14~]~2~[VO(PO~3~OH)~4~(B~3~O~3~OH)]4H~2~O
Inorganic Chemistry
38
(1999)
2231-2233 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321965.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,008,542 | 24.309 | 0.005 | 13.543 | 0.003 | 41.392 | 0.008 | 90 | null | 90 | null | 90 | null | 13,627 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C28 H37.5 Cu F12 N6.5 P2 - | - C28 H27.988 Cu F12 N6.5 P2 - | - C448 H447.808 Cu16 F192 N104 P32 - | 16 | 2 | CF1275 | Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H. | Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^ | Acta Crystallographica Section C | 1,999 | 55 | 6 | 886 | 889 | 10.1107/S0108270198018381 | 0.71073 | MoKα | 0.124 | 0.066 | null | null | null | 0.179 | null | null | null | null | null | 0.842 | null | null | has coordinates,has disorder,has Fobs | Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.
Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^
Acta Crystallographica Section C
55(6)
(1999)
886-889 | 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/2/00/85/2008542.cif $
#-------------------------------------------------------------------... | |||||||||||
2,008,543 | 9.5694 | 0.001 | 12.0225 | 0.001 | 19.5555 | 0.001 | 103.82 | 0.01 | 91.434 | 0.01 | 110.249 | 0.01 | 2,035.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | trans-carbonyl[η^2^-dihydrobis(pyrazol-1-yl)borato]hydridobis- (triphenylarsino)ruthenium(II) monohydrate | - C43 H41 As2 B N4 O2 Ru - | - C43 H39 As2 B N4 O2 Ru - | - C86 H78 As4 B2 N8 O4 Ru2 - | 2 | 1 | CF1291 | Huh, Seong; Kim, Youngmee; Park, Seongsoon; Park, Tae-Jin; Jun, Moo-Jin | <i>trans</i>-Carbonyl[η^2^-dihydrobis(pyrazol-1-yl-<i>N</i>^2^)borato]hydridobis(triphenylarsine)ruthenium(II) monohydrate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 850 | 852 | 10.1107/S0108270199002279 | 0.71073 | MoKα | 0.0778 | 0.0463 | null | null | null | 0.1526 | null | null | null | null | null | 1.118 | null | null | has coordinates,has Fobs | Huh, Seong; Kim, Youngmee; Park, Seongsoon; Park, Tae-Jin; Jun, Moo-Jin
<i>trans</i>-Carbonyl[η^2^-dihydrobis(pyrazol-1-yl-<i>N</i>^2^)borato]hydridobis(triphenylarsine)ruthenium(II) monohydrate
Acta Crystallographica Section C
55(6)
(1999)
850-852 | 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/2/00/85/2008543.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,544 | 6.377 | 0.002 | 6.972 | 0.003 | 10.514 | 0.016 | 90 | null | 104.45 | null | 90 | null | 452.7 | 0.7 | 122 | 0.2 | 122 | 0.5 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (R)-(+)-2-(4-Chlorophenoxy)propionic acid | - C9 H9 Cl O3 - | - C9 H9 Cl O3 - | - C18 H18 Cl2 O6 - | 2 | 1 | CF1292 | Henning Osholm Sørensen; André Collet; Sine Larsen | (<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid | Acta Crystallographica Section C | 1,999 | 55 | 6 | 953 | 956 | 10.1107/S0108270199002280 | 1.54184 | CuKα | 0.022 | 0.022 | null | null | null | 0.062 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Henning Osholm Sørensen; André Collet; Sine Larsen
(<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid
Acta Crystallographica Section C
55(6)
(1999)
953-956 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,545 | 7.898 | 0.002 | 10.188 | 0.003 | 7.064 | 0.002 | 95 | 0.02 | 92.92 | 0.02 | 105.17 | 0.02 | 544.9 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | μ-[N,N'-bis(3-aminopropyl)-oxamidato(2-)]-N,N',O':N'',N''',O-bis[(nitrato-O) (imidazole-N^3^)copper(II)] | - C14 H24 Cu2 N10 O8 - | - C14 H24 Cu2 N10 O8 - | - C14 H24 Cu2 N10 O8 - | 1 | 0.5 | CF1295 | Zhang, Cungen; Sun, Jie; Kong, Xiangfu; Zhao, Chengxue | An oxamidato-bridged binuclear imidazole–copper(II) complex | Acta Crystallographica Section C | 1,999 | 55 | 6 | 873 | 875 | 10.1107/S0108270199001110 | 0.7107 | MoKα | null | 0.027 | null | null | null | 0.04 | null | null | null | null | null | 1.65 | null | null | has coordinates | Zhang, Cungen; Sun, Jie; Kong, Xiangfu; Zhao, Chengxue
An oxamidato-bridged binuclear imidazole–copper(II) complex
Acta Crystallographica Section C
55(6)
(1999)
873-875 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,546 | 5.2624 | 0.0009 | 8.8737 | 0.0014 | 14.518 | 0.003 | 82.455 | 0.015 | 85.847 | 0.018 | 89.393 | 0.012 | 670.3 | 0.2 | 290 | 1 | 290 | 1 | null | null | null | null | 4 | P 1 | P 1 | 1 | (2S,4S,5R)-(-)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3- oxazolidine | - C15 H18 N2 O - | - C15 H18 N2 O - | - C30 H36 N4 O2 - | 2 | 2 | CF1298 | Gallagher, John F.; Fitzsimons, Lavelle M. | Intermolecular N—H···O and C—H···O interactions form a two-dimensional network in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(–)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3-oxazolidine | Acta Crystallographica Section C | 1,999 | 55 | 6 | 1000 | 1003 | 10.1107/S0108270199002292 | 0.7107 | MolybdenumKα | 0.078 | 0.052 | null | null | null | 0.137 | null | null | null | null | null | 1.004 | null | null | has coordinates | Gallagher, John F.; Fitzsimons, Lavelle M.
Intermolecular N—H···O and C—H···O interactions form a two-dimensional network in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(–)-3,4-dimethyl-5-phenyl-2-(pyrrol-2-yl)-1,3-oxazolidine
Acta Crystallographica Section C
55(6)
(1999)
1000-1003 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,964 | 13.285 | 0.005 | 9.569 | 0.002 | 16.46 | 0.003 | 90 | null | 90 | null | 90 | null | 2,092.5 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C12 H28 Br2 Co N4 O6 - | - C12 H28 Br2 Co N4 O6 - | - C48 H112 Br8 Co4 N16 O24 - | 4 | 0.5 | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams | Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance | Inorganic Chemistry | 1,999 | 38 | 2057 | 2063 | 10.1021/ic9812609 | 0.71073 | MoKα | 0.079 | 0.0433 | null | 0.1136 | 0.0959 | null | null | null | 0.982 | 1.014 | 1.014 | null | null | null | has coordinates | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams
Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance
Inorganic Chemistry
38
(1999)
2057-2063 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,008,547 | 7.281 | 0.002 | 16.084 | 0.007 | 12.849 | 0.006 | 90 | null | 100.51 | 0.02 | 90 | null | 1,479.5 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Dichloro-bis[2-(2-hydroxymethyl)-1-methylimidazole-N^3^]zinc(II) | - C10 H16 Cl2 N4 O2 Zn - | - C10 H16 Cl2 N4 O2 Zn - | - C40 H64 Cl8 N16 O8 Zn4 - | 4 | 1 | CF1299 | Yang, Shi-Ping; Long, La-Sheng; Chen, Xiao-Ming; Ji, Liang-Nian | Dichlorobis(2-hydroxymethyl-1-methylimidazole-<i>N</i>^3^)zinc(II) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 869 | 871 | 10.1107/S0108270199002309 | 0.71073 | MoKα | 0.099 | 0.06 | null | null | null | 0.166 | null | null | null | null | null | 1.033 | null | null | has coordinates | Yang, Shi-Ping; Long, La-Sheng; Chen, Xiao-Ming; Ji, Liang-Nian
Dichlorobis(2-hydroxymethyl-1-methylimidazole-<i>N</i>^3^)zinc(II)
Acta Crystallographica Section C
55(6)
(1999)
869-871 | 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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2,008,548 | 8.7836 | 0.0006 | 16.5431 | 0.0013 | 15.5118 | 0.0011 | 90 | null | 93.117 | 0.006 | 90 | null | 2,250.7 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 8b,8c-dibenzoyl-4b,8b,8c,8d-tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene-4b -carbaldehyde | - C31 H20 O3 - | - C31 H20 O3 - | - C124 H80 O12 - | 4 | 1 | DA1047 | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V. | Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes | Acta Crystallographica Section C | 1,999 | 55 | 6 | 996 | 1000 | 10.1107/S0108270199000487 | 1.54178 | CuKα | 0.078 | 0.057 | null | null | null | 0.175 | null | null | null | null | null | 1.073 | null | null | has coordinates,has Fobs | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.
Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes
Acta Crystallographica Section C
55(6)
(1999)
996-1000 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008548.cif $
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2,008,549 | 9.0656 | 0.0015 | 8.779 | 0.003 | 29.758 | 0.005 | 90 | null | 94.672 | 0.013 | 90 | null | 2,360.5 | 1 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4b-acetyl-8b,8c-dibenzoyl-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene | - C32 H22 O3 - | - C32 H22 O3 - | - C128 H88 O12 - | 4 | 1 | DA1047 | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V. | Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes | Acta Crystallographica Section C | 1,999 | 55 | 6 | 996 | 1000 | 10.1107/S0108270199000487 | 0.71073 | MoKα | 0.22 | 0.077 | null | null | null | 0.184 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.
Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes
Acta Crystallographica Section C
55(6)
(1999)
996-1000 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008549.cif $
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2,008,550 | 16.8684 | 0.0001 | 15.3955 | 0.0001 | 17.52 | 0.0002 | 90 | null | 90 | null | 90 | null | 4,549.9 | 0.07 | 223 | 2 | 223 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 8b,8c-dibenzoyl-4b-nitro-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene | - C30 H19 N O4 - | - C30 H19 N O4 - | - C240 H152 N8 O32 - | 8 | 1 | DA1047 | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V. | Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes | Acta Crystallographica Section C | 1,999 | 55 | 6 | 996 | 1000 | 10.1107/S0108270199000487 | 0.71073 | MoKα | 0.061 | 0.045 | null | null | null | 0.11 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.
Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes
Acta Crystallographica Section C
55(6)
(1999)
996-1000 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,963 | 8.0051 | 0.0009 | 10.221 | 0.0013 | 10.8266 | 0.0009 | 67.556 | 0.007 | 83.64 | 0.008 | 85.83 | 0.011 | 813.25 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C24 H48 Br2 Co N6 O6 - | - C24 H48 Br2 Co N6 O6 - | - C24 H48 Br2 Co N6 O6 - | 1 | 0.5 | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams | Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance | Inorganic Chemistry | 1,999 | 38 | 2057 | 2063 | 10.1021/ic9812609 | 0.71073 | MoKα | 0.082 | 0.0467 | null | 0.1119 | 0.0962 | null | null | null | 1.045 | 1.093 | 1.093 | null | null | null | has coordinates | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams
Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance
Inorganic Chemistry
38
(1999)
2057-2063 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,008,551 | 16.6439 | 0.0006 | 17.9178 | 0.0008 | 8.3487 | 0.0003 | 90 | null | 94.963 | 0.005 | 90 | null | 2,480.43 | 0.17 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 10c-benzoyl-6b-tert-butyl-2-phenyl-10b,10c-dihydro-6bH-dibenzo[a,f]furo[2,3,4- cd]pentalene | - C34 H28 O2 - | - C34 H28 O2 - | - C136 H112 O8 - | 4 | 1 | DA1047 | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V. | Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes | Acta Crystallographica Section C | 1,999 | 55 | 6 | 996 | 1000 | 10.1107/S0108270199000487 | 1.54178 | CuKα | 0.05 | 0.042 | null | null | null | 0.124 | null | null | null | null | null | 1.062 | null | null | has coordinates,has Fobs | Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.
Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes
Acta Crystallographica Section C
55(6)
(1999)
996-1000 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,552 | 5.925 | 0.002 | 8.321 | 0.001 | 16.126 | 0.003 | 103.41 | 0.01 | 98.85 | 0.02 | 99.51 | 0.02 | 747.3 | 0.3 | 293 | 2 | 300 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Indole | Ethyl 1-2'-Cyanoethyl-3,5-Dimethyl-2-Indolecarboxylate | - C16 H18 N2 O2 - | - C16 H18 N2 O2 - | - C32 H36 N4 O4 - | 2 | 1 | DA1055 | T. N. Chandrakantha; Puttaraja; M. K. Kokila; N. C. Shivaprakash | Ethyl 1-(2-cyanoethyl)-3,5-dimethyl-1<i>H</i>-indole-2-carboxylate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 990 | 992 | 10.1107/S0108270199001973 | 1.5418 | CuKα | 0.0855 | 0.0636 | null | 0.1824 | 0.1476 | null | null | null | 1.101 | 1.134 | 1.134 | null | null | null | has coordinates | T. N. Chandrakantha; Puttaraja; M. K. Kokila; N. C. Shivaprakash
Ethyl 1-(2-cyanoethyl)-3,5-dimethyl-1<i>H</i>-indole-2-carboxylate
Acta Crystallographica Section C
55(6)
(1999)
990-992 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,553 | 8.401 | 0.001 | 10.704 | 0.001 | 9.325 | 0.001 | 90 | null | 104.96 | 0.01 | 90 | null | 810.12 | 0.15 | 295 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis(trigonelline)-dichlorocopper(II) | - C14 H14 Cl2 Cu N2 O4 - | - C14 H14 Cl2 Cu N2 O4 - | - C28 H28 Cl4 Cu2 N4 O8 - | 2 | 0.5 | DA1057 | Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi | A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine | Acta Crystallographica Section C | 1,999 | 55 | 6 | 882 | 886 | 10.1107/S0108270199001985 | 0.71073 | MoKα | null | 0.044 | null | null | 0.045 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi
A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine
Acta Crystallographica Section C
55(6)
(1999)
882-886 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,554 | 10.156 | 0.002 | 13.883 | 0.002 | 7.793 | 0.001 | 99.4 | 0.01 | 109.29 | 0.01 | 75.57 | 0.01 | 1,000.4 | 0.3 | 299 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tetrakis(μ-trigonelline-O,O')-dichlorocopper(II) dichloride octahydrate | - C28 H44 Cl4 Cu2 N4 O16 - | - C28 H44 Cl4 Cu2 N4 O16 - | - C28 H44 Cl4 Cu2 N4 O16 - | 1 | 0.5 | DA1057 | Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi | A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine | Acta Crystallographica Section C | 1,999 | 55 | 6 | 882 | 886 | 10.1107/S0108270199001985 | 0.71073 | MoKα | null | 0.043 | null | null | 0.043 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi
A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine
Acta Crystallographica Section C
55(6)
(1999)
882-886 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,962 | 11.597 | 0.003 | 12.652 | 0.002 | 16.04 | 0.002 | 72.018 | 0.01 | 85.26 | 0.02 | 83.69 | 0.02 | 2,222 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C30 H60 Br4 Mn2 N6 O6 - | - C30 H60 Br4 Mn2 N6 O6 - | - C60 H120 Br8 Mn4 N12 O12 - | 2 | 1 | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams | Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance | Inorganic Chemistry | 1,999 | 38 | 2057 | 2063 | 10.1021/ic9812609 | 0.71073 | MoKα | 0.12 | 0.0657 | null | 0.1834 | 0.1456 | null | null | null | 1.021 | 1.101 | 1.101 | null | null | null | has coordinates,has disorder | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams
Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance
Inorganic Chemistry
38
(1999)
2057-2063 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
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2,008,555 | 10.431 | 0.002 | 17.795 | 0.003 | 10.685 | 0.002 | 90 | null | 114.4 | 0.01 | 90 | null | 1,806.2 | 0.6 | 299 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Tetrakis(μ-1-methylpyrrole-2-carboxylato-O,O')-dipyridinecopper(II) | - C36 H38 Cu2 N6 O8 - | - C36 H38 Cu2 N6 O8 - | - C72 H76 Cu4 N12 O16 - | 2 | 0.5 | DA1057 | Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi | A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine | Acta Crystallographica Section C | 1,999 | 55 | 6 | 882 | 886 | 10.1107/S0108270199001985 | 0.71073 | MoKα | null | 0.052 | null | null | 0.043 | null | null | null | null | 1.26 | 1.26 | null | null | null | has coordinates | Nakagawa, Hiroo; Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Hideaki, Matsushima; Tokii, Tadashi
A monomeric and a dimeric copper(II) trigonelline adduct with chloride, and a dimeric copper(II) 1-methyl-2-pyrrolecarboxylate adduct with 3-methylpyridine
Acta Crystallographica Section C
55(6)
(1999)
882-886 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/85/2008555.cif $
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2,008,556 | 9.849 | 0.002 | 10.8 | 0.002 | 25.682 | 0.003 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 2,731.8 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2^'^,3^'^,5^'^-Tri-O-Benzoylinosine | - C31 H24 N4 O8 - | - C31 H24 N4 O8 - | - C124 H96 N16 O32 - | 4 | 1 | DE1094 | S.Kolappan; T. Parthasarathy Seshadri | 2',3',5'-Tri-<i>O</i>-benzoylinosine | Acta Crystallographica Section C | 1,999 | 55 | 6 | 986 | 987 | 10.1107/S0108270198014668 | 1.5418 | CuKα | 0.0456 | 0.0327 | null | null | null | 0.1167 | null | null | null | null | null | 0.691 | null | null | has coordinates,has Fobs | S.Kolappan; T. Parthasarathy Seshadri
2',3',5'-Tri-<i>O</i>-benzoylinosine
Acta Crystallographica Section C
55(6)
(1999)
986-987 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,557 | 9.296 | 0.002 | 10.524 | 0.003 | 11.044 | 0.003 | 113.89 | 0.02 | 100.15 | 0.02 | 109.75 | 0.02 | 866.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline | - C19 H16 Cl2 N2 O - | - C19 H16 Cl2 N2 O - | - C38 H32 Cl4 N4 O2 - | 2 | 1 | DE1102 | R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj | 1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline | Acta Crystallographica Section C | 1,999 | 55 | 6 | 987 | 990 | 10.1107/S0108270199000712 | 0.71073 | MoKα | 0.101 | 0.067 | null | null | null | 0.15 | null | null | null | null | null | 1.232 | null | null | has coordinates | R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj
1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline
Acta Crystallographica Section C
55(6)
(1999)
987-990 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,558 | 5.72 | 0.001 | 12.085 | 0.004 | 26.654 | 0.004 | 90 | null | 91.78 | 0.02 | 90 | null | 1,841.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline | - C21 H22 N2 O3 - | - C21 H22 N2 O3 - | - C84 H88 N8 O12 - | 4 | 1 | DE1102 | R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj | 1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline | Acta Crystallographica Section C | 1,999 | 55 | 6 | 987 | 990 | 10.1107/S0108270199000712 | 1.5418 | CuKα | 0.049 | 0.043 | null | null | null | 0.127 | null | null | null | null | null | 1.138 | null | null | has coordinates | R. V. Krishnakumar; S. Natarajan; V. Vijayabaskar; S. Perumal; S. Selvaraj
1-Acetyl-5-(4-methoxyphenyl)-3-(4-methoxystyryl)-2-pyrazoline and 1-acetyl-5-(2-chlorophenyl)-3-(2-chlorostyryl)-2-pyrazoline
Acta Crystallographica Section C
55(6)
(1999)
987-990 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,961 | 24.404 | 0.003 | 11.262 | 0.002 | 21.16 | 0.003 | 90 | null | 102.334 | 0.011 | 90 | null | 5,681.3 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C17 H36 Br2 Mn N3 O4 - | - C17 H35 Br2 Mn N3 O4 - | - C136 H280 Br16 Mn8 N24 O32 - | 8 | 1 | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams | Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance | Inorganic Chemistry | 1,999 | 38 | 2057 | 2063 | 10.1021/ic9812609 | 0.71073 | MoKα | 0.2159 | 0.0857 | null | 0.325 | 0.2235 | null | null | null | 1.001 | 1.209 | 1.209 | null | null | null | has coordinates,has disorder | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams
Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance
Inorganic Chemistry
38
(1999)
2057-2063 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
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2,008,559 | 4.586 | 0.002 | 12.843 | 0.004 | 9.767 | 0.001 | 90 | null | 133.98 | 0.02 | 90 | null | 413.9 | 0.3 | 296.2 | null | null | null | null | null | null | null | 3 | C 1 c 1 | C -2yc | 9 | - C2 H4 N4 - | - C2 H4 N4 - | - C8 H16 N16 - | 4 | 1 | DE1103 | Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga | 5-Methyl-1<i>H</i>-tetrazole | Acta Crystallographica Section C | 1,999 | 55 | 6 | 1014 | 1016 | 10.1107/S0108270199002437 | 0.7107 | MoKα | null | 0.04 | null | null | null | 0.052 | null | null | null | null | null | 1.859 | null | null | has coordinates | Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga
5-Methyl-1<i>H</i>-tetrazole
Acta Crystallographica Section C
55(6)
(1999)
1014-1016 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,560 | 6.069 | 0.007 | 7.829 | 0.002 | 13.455 | 0.003 | 90 | null | 91.76 | 0.03 | 90 | null | 639 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Ethylene bis(dimethyldithiocarbamate) | - C8 H16 N2 S4 - | - C8 H16 N2 S4 - | - C16 H32 N4 S8 - | 2 | 0.5 | FG1520 | Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng | Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 940 | 942 | 10.1107/S0108270198016370 | 0.71073 | MoKα | 0.0687 | 0.041 | null | null | null | 0.0954 | null | null | null | null | null | 1.043 | null | null | has coordinates | Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng
Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)
Acta Crystallographica Section C
55(6)
(1999)
940-942 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,561 | 7.4875 | 0.0001 | 7.4424 | 0.0002 | 13.7568 | 0.0003 | 90 | null | 97.536 | 0.001 | 90 | null | 759.98 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Butylene bis(dimethyldithiocarbamate) | - C10 H20 N2 S4 - | - C10 H20 N2 S4 - | - C20 H40 N4 S8 - | 2 | 0.5 | FG1520 | Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng | Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 940 | 942 | 10.1107/S0108270198016370 | 0.71073 | MoKα | 0.0309 | 0.0268 | null | null | null | 0.0754 | null | null | null | null | null | 1.103 | null | null | has coordinates | Jian Fangfang; Zhu Dunru; Fun Hoong-Kun; Kandasamy Chinnakali; Ibrahim Abdul Razak; You Xiaozeng
Ethylene bis(dimethyldithiocarbamate) and butane-1,4-diyl bis(dimethyldithiocarbamate)
Acta Crystallographica Section C
55(6)
(1999)
940-942 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,562 | 6.2578 | 0.0005 | 16.352 | 0.001 | 14.819 | 0.001 | 90 | null | 91.255 | 0.001 | 90 | null | 1,516.03 | 0.18 | 296 | 1 | 296 | 1 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C2 H24 Co N2 O14 P2 - | - C2 H22 Co N2 O14 P2 - | - C8 H88 Co4 N8 O56 P8 - | 4 | 1 | FR1152 | Yongkui Shan; Songping D. Huang | (C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular three-dimensional hydrogen-bonding network | Acta Crystallographica Section C | 1,999 | 55 | 6 | 921 | 923 | 10.1107/S0108270199001584 | 0.7107 | MoKα | 0.061 | 0.034 | null | 0.051 | null | 0.044 | null | null | 1.024 | null | null | 1.09 | null | null | has coordinates | Yongkui Shan; Songping D. Huang
(C~2~H~10~N~2~)[Co(H~2~O)~6~](HPO~4~)~2~: a supramolecular three-dimensional hydrogen-bonding network
Acta Crystallographica Section C
55(6)
(1999)
921-923 | 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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4,321,960 | 23.846 | 0.003 | 11.301 | 0.0013 | 20.3262 | 0.0011 | 90 | null | 103.446 | 0.007 | 90 | null | 5,327.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C17 H36 Cl2 Co N3 O4 - | - C17 H35 Cl2 Co N3 O4 - | - C136 H280 Cl16 Co8 N24 O32 - | 8 | 1 | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams | Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance | Inorganic Chemistry | 1,999 | 38 | 2057 | 2063 | 10.1021/ic9812609 | 0.71073 | MoKα | 0.1367 | 0.08 | null | 0.2659 | 0.2149 | null | null | null | 1.054 | 1.15 | 1.15 | null | null | null | has coordinates,has disorder | David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams
Formation of Polymeric Network Arrays by Complexes of Manganese(II) or Cobalt(II) with Alkane Chain Linked Bis(amide) Ligands of Biological Relevance
Inorganic Chemistry
38
(1999)
2057-2063 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
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2,008,563 | 8.9034 | 0.0012 | 10.0168 | 0.0011 | 16.709 | 0.0012 | 73.579 | 0.002 | 74.837 | 0.003 | 65.376 | 0.002 | 1,281.6 | 0.2 | 295 | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C23 H23 Cu I2 N3 O2 Zn - | - C24 H21 Cu I2 N3 O2 Zn - | - C48 H42 Cu2 I4 N6 O4 Zn2 - | 2 | 1 | FR1157 | Ercan, Filiz; Arıcı, Cengiz; Akay, Abdülkadir; Atakol, Orhan; Ülkü, Dinc̨er | {[μ-Bis(salicylidene)-1,3-propanediaminato]-(3-methylpyridine)copper(II)}diiodozinc(II) | Acta Crystallographica Section C | 1,999 | 55 | 6 | 925 | 928 | 10.1107/S0108270199003273 | 0.71073 | MoKα | null | 0.032 | null | null | 0.039 | null | null | null | null | 0.92 | 0.92 | null | null | null | has coordinates | Ercan, Filiz; Arıcı, Cengiz; Akay, Abdülkadir; Atakol, Orhan; Ülkü, Dinc̨er
{[μ-Bis(salicylidene)-1,3-propanediaminato]-(3-methylpyridine)copper(II)}diiodozinc(II)
Acta Crystallographica Section C
55(6)
(1999)
925-928 | 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/2/00/85/2008563.cif $
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2,008,564 | 8.2202 | 0.0003 | 18.2074 | 0.0006 | 11.9429 | 0.0004 | 90 | null | 93.079 | 0.001 | 90 | null | 1,784.9 | 0.11 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Aminoguanidinium (N,N'-ethylenediaminetetraacetato)antimonate(III) hydrate | - C11 H21 N6 O9 Sb - | - C11 H21 N6 O9 Sb - | - C44 H84 N24 O36 Sb4 - | 4 | 1 | FR1177 | Hoong-Kun Fun; S. Shanmuga Sundara Raj; Abdul Razak, Ibrahim; Ilyukhin, Andrey B.; Davidovich, Ruven L.; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng | Aminoguanidinium (ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)antimonate(III) monohydrate | Acta Crystallographica Section C | 1,999 | 55 | 6 | 905 | 907 | 10.1107/S0108270199002310 | 0.71073 | MoKα | 0.026 | 0.021 | null | null | null | 0.051 | null | null | null | null | null | 1.087 | null | null | has coordinates | Hoong-Kun Fun; S. Shanmuga Sundara Raj; Abdul Razak, Ibrahim; Ilyukhin, Andrey B.; Davidovich, Ruven L.; Huang, Jing-Wei; Hu, Sheng-Zhi; Ng, Seik Weng
Aminoguanidinium (ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraacetato)antimonate(III) monohydrate
Acta Crystallographica Section C
55(6)
(1999)
905-907 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,565 | 6.8822 | 0.0008 | 8.9557 | 0.001 | 11.0364 | 0.0012 | 98.765 | 0.002 | 92.365 | 0.002 | 98.66 | 0.002 | 663.18 | 0.13 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4-Methoxybenzaldehyde-(pentafluorophenylmethylidene)hydrazone | - C15 H9 F5 N2 O - | - C15 H9 F5 N2 O - | - C30 H18 F10 N4 O2 - | 2 | 1 | FR1178 | Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer | 4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone | Acta Crystallographica Section C | 1,999 | 55 | 6 | 975 | 978 | 10.1107/S0108270199002541 | 0.7093 | MolybdenumKα | null | 0.058 | null | null | null | 0.075 | null | null | null | null | null | 1.19 | null | null | has coordinates | Lewis, Michael; Barnes, Charles L.; Hathaway, Bruce A.; Glaser, Rainer
4-Methoxybenzaldehyde pentafluorophenylmethylidenehydrazone
Acta Crystallographica Section C
55(6)
(1999)
975-978 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,566 | 11.1445 | 0.0007 | 11.7843 | 0.0007 | 14.0877 | 0.0009 | 90 | null | 95.819 | 0.001 | 90 | null | 1,840.6 | 0.2 | 198 | 2 | 198 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H19 N2 P - | - C23 H19 N2 P - | - C92 H76 N8 P4 - | 4 | 1 | Filippo Minutolo; Scott R. Wilson; John A. Katzenellenbogen | Crystallographic evidence for the electronic distribution in (2,4-cyclopentadien-1-ylidenehydrazono)triphenylphosphorane | Acta Crystallographica Section C | 1,999 | 55 | 6 | 1016 | 1016 | null | null | 0.033 | null | null | 0.0651 | null | null | null | null | null | null | null | null | null | has coordinates | Filippo Minutolo; Scott R. Wilson; John A. Katzenellenbogen
Crystallographic evidence for the electronic distribution in (2,4-cyclopentadien-1-ylidenehydrazono)triphenylphosphorane
Acta Crystallographica Section C
55(6)
(1999)
1016-1016 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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