Information card for entry 4319501

Structure parameters

• Formula: C48 H109 N3 O11.5 Se V3
• Calculated formula: C48 H108 N3 O11.5 Se V3
• SMILES: [Se]1(=O)O[V](=O)(=O)O[V](=O)(=O)O[V](=O)(=O)O1.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis and Structural Characterization of a New Series of Vanadoselenites, [SexV4-xO12-x](4-x)- (x = 1, 2)
• Authors of publication: H. Nakano; T. Ozeki; A. Yagasaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1816 - 1819
• a: 22.328 ± 0.005 Å
• b: 44.099 ± 0.009 Å
• c: 12.287 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12098 ± 5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.3239
• Weighted residual factors for all reflections included in the refinement: 0.3575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No