Information card for entry 1547973

Structure parameters

• Formula: C42 H25 Mg2 N6 O19 V
• Calculated formula: C42 H18 Mg2.0001 N6 O19 V0.9999
• Title of publication: An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials
• Authors of publication: Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 13645
• a: 16.6165 ± 0.001 Å
• b: 16.6165 ± 0.001 Å
• c: 15.3366 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3667.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.3266
• Weighted residual factors for all reflections included in the refinement: 0.3425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No