Information card for entry 4335545

Structure parameters

• Formula: C8 H9 Cs N2 O6 V
• Calculated formula: C8 H9 Cs N2 O6 V
• Title of publication: Alkali Metal Directed Assembly of Heterometallic Vv/M (M = Na, K, Cs) Coordination Polymers: Structures, Topological Analysis, and Oxidation Catalytic Properties
• Authors of publication: Samik Gupta; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro; Alexander M. Kirillov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8601 - 8611
• a: 7.4312 ± 0.0002 Å
• b: 9.2421 ± 0.0003 Å
• c: 10.1449 ± 0.0003 Å
• α: 64.38 ± 0.001°
• β: 83.907 ± 0.002°
• γ: 77.949 ± 0.001°
• Cell volume: 614.3 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.017
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No