Information card for entry 4123190

Structure parameters

• Formula: C408 H318 N12 O32 Zr6
• Calculated formula: C408 H318 N12 O32 Zr6
• Title of publication: Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.
• Authors of publication: Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 413 - 419
• a: 38.4224 ± 0.0012 Å
• b: 38.4224 ± 0.0012 Å
• c: 38.4224 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 56722 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.1602
• Weighted residual factors for significantly intense reflections: 0.3489
• Weighted residual factors for all reflections included in the refinement: 0.3505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No