Information card for entry 4001939

Structure parameters

• Formula: C7 H7 In N3 O9.5
• Calculated formula: C7 H7 In N3 O9.5
• Title of publication: Direct Observation of Two Types of Proton Conduction Tunnels Coexisting in a New Porous Indium‒Organic Framework
• Authors of publication: Zhao, Xiang; Mao, Chengyu; Bu, Xianhui; Feng, Pingyun
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 2492
• a: 17.2988 ± 0.0015 Å
• b: 18.119 ± 0.0016 Å
• c: 31.676 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9928.4 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No