Information card for entry 4345241

Structure parameters

• Formula: C48 H32 Co8 N8 O25
• Calculated formula: C48 H32 Co8 N8 O25
• Title of publication: A Mixed-Cluster Approach for Building a Highly Porous Cobalt(II) Isonicotinic Acid Framework: Gas Sorption Properties and Computational Analyses
• Authors of publication: Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Jiang, Zhi-Hao; Wang, Xing-Dong; Du, Miao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 17.3699 ± 0.001 Å
• b: 17.3699 ± 0.001 Å
• c: 19.8944 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6002.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 119
• Hermann-Mauguin space group symbol: I -4 m 2
• Hall space group symbol: I -4 -2
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No