Information card for entry 1512420

Structure parameters

• Formula: C9.75 H12.5 Cl Cu N3.5 O4.5 S
• Calculated formula: C9.625 H12.5 Cl Cu N3.5 O4.375 S
• Title of publication: Syntheses and structures of bicopper(II) complexes bridged by N-(5-chloro-2-hydroxyphenyl)-N'-[3-(dimethylamino)propyl]oxamide: Cytotoxic activities, and reactivities towards DNA and protein
• Authors of publication: Xiao-Wen Lia; Yan-Tuan Lia; Zhi-Yong Wub; Cui-Wei Yan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 390
• Pages of publication: 190 - 198
• a: 10.2429 ± 0.0004 Å
• b: 12.1652 ± 0.0005 Å
• c: 12.6211 ± 0.0005 Å
• α: 76.473 ± 0.003°
• β: 77.1 ± 0.003°
• γ: 69.452 ± 0.003°
• Cell volume: 1414.46 ± 0.1 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: 0.1096
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No