Information card for entry 4510095

Structure parameters

• Formula: C22 H22 Li4 N2 O13
• Calculated formula: C21.9867 H6 Li4 N2 O13
• Title of publication: New Lithium Ion Clusters for Construction of Porous MOFs
• Authors of publication: Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 897
• a: 21.1288 ± 0.0004 Å
• b: 21.1288 ± 0.0004 Å
• c: 21.1288 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9432.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2352
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No