Information card for entry 4123615

Structure parameters

• Chemical name: (dma)2[Li2Zr(ox)4]
• Formula: C12 H16 Li2 N2 O16 Zr
• Calculated formula: C12 H16 Li2 N2 O16 Zr
• Title of publication: Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.
• Authors of publication: Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6428 - 6431
• a: 16.1265 ± 0.0005 Å
• b: 16.6649 ± 0.0006 Å
• c: 15.4756 ± 0.0004 Å
• α: 90°
• β: 91.161 ± 0.003°
• γ: 90°
• Cell volume: 4158.2 ± 0.2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No