Information card for entry 4503942

Structure parameters

• Formula: C72 H70 Co3 N16 O18 S2
• Calculated formula: C72 H70 Co3 N16 O18 S2
• Title of publication: Syntheses, Structures, and Physical Properties of Three Novel Metal−Organic Frameworks Constructed from Aromatic Polycarboxylate Acids and Flexible Imidazole-Based Synthons
• Authors of publication: Wen, Lili; Lu, Zhenda; Lin, Jianguo; Tian, Zhengfang; Zhu, Huizhen; Meng, Qingjin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 93
• a: 9.3253 ± 0.0006 Å
• b: 10.9646 ± 0.0007 Å
• c: 19.4452 ± 0.0013 Å
• α: 76.604 ± 0.001°
• β: 83.509 ± 0.001°
• γ: 74.188 ± 0.001°
• Cell volume: 1858.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No