Information card for entry 4003242

Structure parameters

• Formula: C12 H22 N4 O8 S2 Zn
• Calculated formula: C12 H22 N4 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: 14.489 ± 0.008 Å
• b: 14.489 ± 0.008 Å
• c: 9.173 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1925.7 ± 1.8 ų
• Cell temperature: 433 ± 2 K
• Ambient diffraction temperature: 433 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No