Information card for entry 4123617

Structure parameters

• Chemical name: Lithium zirconium oxalate dimethiyammonium hydrate
• Formula: C24 H34 Li4 N4 O33 Zr2
• Calculated formula: C24 H34 Li4 N4 O33 Zr2
• 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: 8.5302 ± 0.0006 Å
• b: 8.5902 ± 0.0006 Å
• c: 16.1582 ± 0.0012 Å
• α: 89.309 ± 0.006°
• β: 78.004 ± 0.006°
• γ: 68.812 ± 0.006°
• Cell volume: 1077.28 ± 0.14 ų
• Cell temperature: 299 ± 6 K
• Ambient diffraction temperature: 299 ± 6 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No