Information card for entry 4507070

Structure parameters

• Formula: C56 H36 Co2 N4 O10 S2
• Calculated formula: C56 H36 Co2 N4 O10 S2
• Title of publication: Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
• Authors of publication: Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5783
• a: 19.796 ± 0.003 Å
• b: 22.262 ± 0.003 Å
• c: 13.044 ± 0.002 Å
• α: 90°
• β: 99.852 ± 0.002°
• γ: 90°
• Cell volume: 5663.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No