Information card for entry 4336594

Structure parameters

• Formula: C144 H72 Cu3 N12 O30 Zr8
• Calculated formula: C144 H72 Cu3 N12 O30 Zr8
• Title of publication: Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf8 Cubic Clusters
• Authors of publication: Dawei Feng; Hai-Long Jiang; Ying-Pin Chen; Zhi-Yuan Gu; Zhangwen Wei; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12661 - 12667
• a: 19.51 ± 0.03 Å
• b: 19.51 ± 0.03 Å
• c: 19.51 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7426 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.245
• Residual factor for significantly intense reflections: 0.1924
• Weighted residual factors for significantly intense reflections: 0.4359
• Weighted residual factors for all reflections included in the refinement: 0.4573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No