Information card for entry 4506930

Structure parameters

• Formula: C17.25 H13 Co0.5 N2 O3
• Calculated formula: C17.25 H11 Co0.5 N2 O3
• Title of publication: Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands
• Authors of publication: Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5529
• a: 26.658 ± 0.002 Å
• b: 26.658 ± 0.002 Å
• c: 8.479 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6025.6 ± 0.8 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.2952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No