Information card for entry 4123616

Structure parameters

• Common name: dma2[Li2Zr(ox)4]
• Chemical name: Lithium Zirconium Oxalate Dimethylammonium
• 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: 16.0091 ± 0.0008 Å
• b: 16.6385 ± 0.0009 Å
• c: 15.3534 ± 0.0007 Å
• α: 90°
• β: 90.834 ± 0.004°
• γ: 90°
• Cell volume: 4089.2 ± 0.4 ų
• Cell temperature: 120 ± 0.14 K
• Ambient diffraction temperature: 120 ± 0.14 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: 0.0376
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No