Information card for entry 4500690

Structure parameters

• Formula: C72 H55 Co3 N11 O27.5
• Calculated formula: C72 H52 Co3 N11 O27.5
• 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: 13.725 ± 0.004 Å
• b: 15.197 ± 0.005 Å
• c: 20.131 ± 0.009 Å
• α: 96.855 ± 0.006°
• β: 100.123 ± 0.006°
• γ: 113.155 ± 0.004°
• Cell volume: 3717 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No