Information card for entry 7236082

Structure parameters

• Formula: C69 H67 In3 N8 O23
• Calculated formula: C57 H33 In3 N3 O13
• Title of publication: Two stable 3D porous metal‒organic frameworks with high performance for gas adsorption and separation
• Authors of publication: Yao, Shuo; Wang, Dongmei; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 32
• Pages of publication: 16627
• a: 19.627 ± 0.003 Å
• b: 19.627 ± 0.003 Å
• c: 45.856 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15298 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No