Information card for entry 4506928

Structure parameters

• Formula: C51 H37 Co2 N6 O16
• Calculated formula: C51 H37 Co2 N6 O16
• 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: 9.0384 ± 0.001 Å
• b: 16.3407 ± 0.0018 Å
• c: 18.505 ± 0.002 Å
• α: 73.394 ± 0.002°
• β: 76.394 ± 0.002°
• γ: 86.298 ± 0.002°
• Cell volume: 2545.6 ± 0.5 ų
• Cell temperature: 293 ± 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: 0.1811
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2865
• Weighted residual factors for all reflections included in the refinement: 0.3313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No