Information card for entry 4126061

Structure parameters

• Formula: C13 H3 In0.5 N3 O11 S
• Calculated formula: C12 H3 In0.5 N1.5 O9 S
• Title of publication: Single Crystal Proton Conduction Study of a Metal Organic Framework of Modest Water Stability.
• Authors of publication: Lin, Jian-Bin; Romero, Zaida; Shimizu, George K. H.; Joarder, Biplab
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 14.068 ± 0.003 Å
• b: 14.068 ± 0.003 Å
• c: 12.289 ± 0.002 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2432.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No