Information card for entry 4001709

Structure parameters

• Formula: C27 H24 Cu4 I4 Mn2 N5 O11
• Calculated formula: C27 H24 Cu4 I4 Mn2 N5 O11
• 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: 18.0043 ± 0.0008 Å
• b: 21.1164 ± 0.0009 Å
• c: 18.1594 ± 0.0014 Å
• α: 90°
• β: 93.344 ± 0.005°
• γ: 90°
• Cell volume: 6892.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No