Information card for entry 4130914

Structure parameters

• Formula: C30 H18 Fe4 Mg N9 O19
• Calculated formula: C30 H18 Fe3.94 Mg1.06 N9 O19
• Title of publication: Multivariable Modular Design of Pore Space Partition.
• Authors of publication: Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15102 - 15105
• a: 13.857 ± 0.007 Å
• b: 13.857 ± 0.007 Å
• c: 17.925 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2981 ± 3 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 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: 0.1848
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.273
• Weighted residual factors for all reflections included in the refinement: 0.316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No