Information card for entry 4302441

Structure parameters

• Formula: C48 H48 Cu4 Mo8 N24 O27
• Calculated formula: C48 H48 Cu4 Mo8 N24 O27
• Title of publication: Investigation of Flexible Organic Ligands in the Molybdate System: Delicate Influence of a Peripheral Cluster Environment on the Isopolymolybdate Frameworks
• Authors of publication: Bao-xia Dong; Qiang Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5861 - 5873
• a: 11.9 ± 0.002 Å
• b: 13.7 ± 0.003 Å
• c: 23.64 ± 0.005 Å
• α: 104.36 ± 0.03°
• β: 91.7 ± 0.03°
• γ: 109.63 ± 0.03°
• Cell volume: 3489.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No