Information card for entry 4509901

Structure parameters

• Formula: C34 H29 Co N2 O6.5
• Calculated formula: C34 H29 Co N2 O6.5
• Title of publication: Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
• Authors of publication: Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 491
• a: 10.2536 ± 0.0005 Å
• b: 11.9941 ± 0.0006 Å
• c: 25.9444 ± 0.0012 Å
• α: 90°
• β: 105.733 ± 0.002°
• γ: 90°
• Cell volume: 3071.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No