Information card for entry 7119681

Structure parameters

• Formula: C24 H27 Co3 N12 O10
• Calculated formula: C24 H12 Co3 N12 O10
• Title of publication: A bracket approach to improve the stability and gas sorption performance of a metal-organic framework via in situ incorporating the size-matching molecular building blocks
• Authors of publication: Di-Ming Chen; Jia-Yue Tian; Chun-Sen Liu; Miao Du
• Journal of publication: Chem. Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8413
• a: 16.8676 ± 0.0007 Å
• b: 16.8676 ± 0.0007 Å
• c: 18.8186 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4636.9 ± 0.3 ų
• Cell temperature: 131.9 ± 0.2 K
• Ambient diffraction temperature: 131.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No