Information card for entry 4001708

Structure parameters

• Formula: C18 H18 Cu4 I4 N6 O4 Zn
• Calculated formula: C18 H18 Cu4 I4 N6 O4 Zn
• 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: 28.751 ± 0.0008 Å
• b: 18.0562 ± 0.0004 Å
• c: 16.7272 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8683.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No