Information card for entry 4501175

Structure parameters

• Formula: C5 H14 N2 O10 Te2 V2
• Calculated formula: C5 H14 N2 O10 Te2 V2
• Title of publication: Beyond Charge Density Matching: The Role of C‒H···O Interactions in the Formation of Templated Vanadium Tellurites
• Authors of publication: Smith, Matthew D.; Blau, Samuel M.; Chang, Kelvin B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4213
• a: 19.356 ± 0.003 Å
• b: 7.0591 ± 0.0012 Å
• c: 13.582 ± 0.002 Å
• α: 90°
• β: 125.485 ± 0.0017°
• γ: 90°
• Cell volume: 1511.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for all reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No