Information card for entry 4501152

Structure parameters

• Formula: C40 H56 Cu4 Mo6 N16 O22
• Calculated formula: C40 H56 Cu4 Mo6 N16 O22
• Title of publication: Synthesis, Structure, and Magnetic Properties of a Novel Polyoxometalate‒Organic Framework with Unusual (5,6)-Connected Topology
• Authors of publication: Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Zhang, Jian; Lu, Can-Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 4739
• a: 8.392 ± 0.004 Å
• b: 12.451 ± 0.006 Å
• c: 29.364 ± 0.014 Å
• α: 90°
• β: 93.075 ± 0.009°
• γ: 90°
• Cell volume: 3064 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0983
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No