Information card for entry 4003240

Structure parameters

• Formula: C10 H10 N2 O8 S2 Zn
• Calculated formula: C10 H10 N2 O8 S2 Zn
• Title of publication: Fast Conduction of Organic Cations in Metal Sulfate Frameworks
• Authors of publication: Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3968
• a: 8.533 ± 0.003 Å
• b: 8.835 ± 0.003 Å
• c: 10.245 ± 0.003 Å
• α: 76.559 ± 0.01°
• β: 66.59 ± 0.009°
• γ: 85.826 ± 0.013°
• Cell volume: 689.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No