Information card for entry 7027626

Structure parameters

• Formula: C13 H19 Cl3 Cu N6 O15 S
• Calculated formula: C13 H19 Cl3 Cu N6 O15 S
• Title of publication: Preparation, characterisation and structures of copper(II) complexes of an asymmetric anti-cancer drug analogue †
• Authors of publication: Moubaraki, Boujemaa; Murray, Keith S.; Ranford, John D.; Vittal, Jagadese J.; Wang, Xiaobai; Xu, Yan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 3573
• a: 7.4905 ± 0.0003 Å
• b: 8.3949 ± 0.0003 Å
• c: 21.9669 ± 0.0009 Å
• α: 98.635 ± 0.001°
• β: 90.821 ± 0.001°
• γ: 107.117 ± 0.001°
• Cell volume: 1302.67 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No