Information card for entry 4500689

Structure parameters

• Formula: C72 H50 Co3 N12 O28
• Calculated formula: C72 H46 Co3 N12 O28
• Title of publication: Interpenetration, Self-Catenation, and New Topology in Metal‒Organic Frameworks of Cobalt with Mixed Organic Linkers
• Authors of publication: Zhang, Jian-Yong; Jing, Xue-Hui; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3681
• a: 21.693 ± 0.004 Å
• b: 18.321 ± 0.003 Å
• c: 22.792 ± 0.004 Å
• α: 90°
• β: 117.959 ± 0.002°
• γ: 90°
• Cell volume: 8001 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.092
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No