Information card for entry 2007353

Structure parameters

• Chemical name: Bis(μ-azathioprine-N3,N9)tetrachlorocopper(II) dimethylformamide solvate
• Formula: C15 H21 Cl2 Cu N9 O4 S
• Calculated formula: C30 H42 Cl4 Cu2 N18 O8 S2
• Title of publication: A Dinuclear Complex of the Thiopurine Drug Azathioprine: [Cu~2~Cl~4~(μ-azathioprine)~2~].4DMF
• Authors of publication: Zhu, Fu-Chun; Schmalle, Helmut W.; Dubler, Erich
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 773 - 776
• a: 11.739 ± 0.002 Å
• b: 10.092 ± 0.002 Å
• c: 20.652 ± 0.004 Å
• α: 90°
• β: 99.53 ± 0.03°
• γ: 90°
• Cell volume: 2412.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2391
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes