Information card for entry 7115375

Structure parameters

• Formula: C63 H69 In3 N9 O30.5
• Calculated formula: C46 H18 In3 O22.5
• Title of publication: High performance gas adsorption and separation of natural gas in two microporous metal-organic frameworks with ternary building units
• Authors of publication: Dongmei Wang; Tingting Zhao; Yu Cao; Shuo Yao; Guanghua Li; Qisheng Huo; Yunling Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8648
• a: 33.493 ± 0.005 Å
• b: 53.707 ± 0.008 Å
• c: 22.036 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39639 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No