Information card for entry 7119682

Structure parameters

• Formula: C42 H24 Co5 N15 O15
• Calculated formula: C42 H24 Co5 N15 O15
• 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: 18.8605 ± 0.0004 Å
• b: 18.8605 ± 0.0004 Å
• c: 16.6183 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5119.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No