Information card for entry 4501174

Structure parameters

• Formula: C6 H16 N2 O10 Te2 V2
• Calculated formula: C6 H16 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: 6.7486 ± 0.0017 Å
• b: 7.1572 ± 0.0018 Å
• c: 8.687 ± 0.002 Å
• α: 69.818 ± 0.003°
• β: 80.019 ± 0.003°
• γ: 85.524 ± 0.003°
• Cell volume: 387.79 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0229
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for all reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No