Information card for entry 1561198

Structure parameters

• Formula: C36 H36 Cu3 Mo12 N8 O42 P V2
• Calculated formula: C36 H24 Cu3 Mo12 N8 O42 P V2
• Title of publication: Two new POMOF compounds constructed from polyoxoanions, metals and organic ligands
• Authors of publication: Xiao, Li-Na; Zhang, Hao; Zhang, Ting-Ting; Zhang, Xiao; Cui, Xiao-Bing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 259
• Pages of publication: 11 - 18
• a: 10.826 ± 0.004 Å
• b: 10.876 ± 0.002 Å
• c: 13.584 ± 0.003 Å
• α: 98.64 ± 0.03°
• β: 99.09 ± 0.017°
• γ: 100.4 ± 0.03°
• Cell volume: 1526.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No