Information card for entry 4001707

Structure parameters

• Formula: C72 H48 Cu12 I12 N12 O29 Zn8
• Calculated formula: C72 H48 Cu12 I12 N12 O29 Zn8
• Title of publication: Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes
• Authors of publication: Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 4711
• a: 18.912 ± 0.0003 Å
• b: 18.912 ± 0.0003 Å
• c: 18.912 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6764.14 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No