Information card for entry 4330709

Structure parameters

• Formula: C6 H22 N2 O16 Se4 V2
• Calculated formula: C6 H22 N2 O16 Se4 V2
• Title of publication: Role of Hydrogen-Bonding in the Formation of Polar Achiral and Nonpolar Chiral Vanadium Selenite Frameworks
• Authors of publication: Jacob H. Olshansky; Thanh Thao Tran; Kristen J. Hernandez; Matthias Zeller; P. Shiv Halasyamani; Joshua Schrier; Alexander J. Norquist
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11040 - 11048
• a: 14.5262 ± 0.0015 Å
• b: 10.6006 ± 0.0011 Å
• c: 12.716 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1958.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No