Information card for entry 7113016

Structure parameters

• Formula: C96 H68 Co8 N8 O32 S2
• Calculated formula: C96 H68 Co8 N8 O32 S2
• Title of publication: An octacobalt cluster based, (3,12)-connected, magnetic, porous coordination polymer.
• Authors of publication: Hou, Lei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Xue, Wei; Zhang, Yue-Biao; Chen, Xiao-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 6311 - 6313
• a: 17.7875 ± 0.0002 Å
• b: 17.7875 ± 0.0002 Å
• c: 32.8115 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10381.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No