Information card for entry 4123113

Structure parameters

• Formula: C144 H72 Cl3 Fe3 N12 O24 Zr6
• Calculated formula: C144 H72 Cl3 Fe3 N12 O24 Zr5.94
• Title of publication: A Highly Stable Porphyrinic Zirconium Metal-Organic Frame-work with shp-a Topology.
• Authors of publication: Feng, Dawei; Gu, Zhi-Yuan; Chen, Ying-Pin; Park, Jihye; Wei, Zhangwen; Sun, Yujia; Bosch, Mathieu; Yuan, Shuai; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141212123922008
• a: 21.43 ± 0.03 Å
• b: 21.43 ± 0.03 Å
• c: 16.89 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6717 ± 15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.3131
• Weighted residual factors for all reflections included in the refinement: 0.3473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No