Information card for entry 7106757

Structure parameters

• Formula: C34 H90 Cu4.5 N18 Nb12 O51 V3
• Calculated formula: C34 H72 Cu4.5 N18 Nb12 O51 V3
• Title of publication: An unprecedented vanadoniobate cluster with 'trans-vanadium' bicapped Keggin-type {VNb12O40(VO)2}
• Authors of publication: Guiling Guo; Yanqing Xu; Jie Cao; Changwen Hu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9411
• a: 12.861 ± 0.0011 Å
• b: 13.3752 ± 0.0011 Å
• c: 27.481 ± 0.002 Å
• α: 80.932 ± 0.001°
• β: 80.065 ± 0.001°
• γ: 64.331 ± 0.001°
• Cell volume: 4178.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No