Information card for entry 4302446

Structure parameters

• Formula: C28 H28 Cu2 Mo4 N8 O13
• Calculated formula: C28 H28 Cu2 Mo4 N8 O13
• 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: 12.74 ± 0.003 Å
• b: 22.95 ± 0.005 Å
• c: 13.03 ± 0.003 Å
• α: 90°
• β: 109.03 ± 0.03°
• γ: 90°
• Cell volume: 3601.5 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No