Information card for entry 4500389

Structure parameters

• Formula: C72 H66 Co3 N18 O20
• Calculated formula: C72 H66 Co3 N18 O20
• Title of publication: Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl
• Authors of publication: Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2183
• a: 17.519 ± 0.004 Å
• b: 10.08 ± 0.002 Å
• c: 22.931 ± 0.005 Å
• α: 90°
• β: 98.72 ± 0.03°
• γ: 90°
• Cell volume: 4002.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No