Information card for entry 4117919

Structure parameters

• Formula: C6 H15 N4 O12 P3 Zn
• Calculated formula: C6 H15 N4 O12 P3 Zn
• Title of publication: Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity
• Authors of publication: Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 7612 - 7615
• a: 9.009 ± 0.002 Å
• b: 21.83 ± 0.005 Å
• c: 9.235 ± 0.002 Å
• α: 90°
• β: 114.064 ± 0.003°
• γ: 90°
• Cell volume: 1658.4 ± 0.6 ų
• Cell temperature: 348 ± 2 K
• Ambient diffraction temperature: 348 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No