Information card for entry 4302436

Structure parameters

• Formula: C12 H14 Cu Mo3 N6 O11
• Calculated formula: C12 H14 Cu Mo3 N6 O11
• 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: 8.06 ± 0.0016 Å
• b: 8.9 ± 0.0018 Å
• c: 14.4 ± 0.003 Å
• α: 92.2 ± 0.03°
• β: 99.7 ± 0.03°
• γ: 103.6 ± 0.03°
• Cell volume: 986.4 ± 0.4 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: 0.0346
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No