Information card for entry 4121521

Structure parameters

• Formula: C39 H24 Co3 N5 O13
• Calculated formula: C39 H24 Co3 N5 O13
• Title of publication: Nanoporous Cobalt(II) MOF Exhibiting Four Magnetic Ground States and Changes in Gas Sorption upon Post-Synthetic Modification.
• Authors of publication: Zeng, Ming-Hua; Yin, Zheng; Tan, Yan-Xi; Zhang, Wei-Xiong; He, Yan-Ping; Kurmoo, Mohamedally
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4680 - 4688
• a: 17.5207 ± 0.001 Å
• b: 17.5207 ± 0.001 Å
• c: 15.1261 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4643.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 116
• Hermann-Mauguin space group symbol: P -4 c 2
• Hall space group symbol: P -4 -2c
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No