Information card for entry 4310540

Structure parameters

• Formula: C12.5 H8.5 Cl1.5 Cu N6 O6 S
• Calculated formula: C12.5 H8.5 Cl1.5 Cu N6 O6 S
• Title of publication: Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties
• Authors of publication: Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 931 - 944
• a: 28.07 ± 0.008 Å
• b: 9.289 ± 0.003 Å
• c: 15.235 ± 0.004 Å
• α: 90°
• β: 113.537 ± 0.005°
• γ: 90°
• Cell volume: 3641.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No