Information card for entry 4508404

Structure parameters

• Formula: Cd3 H72 O82 S0.5 V18.5
• Calculated formula: Cd3 H48 O82 S0.5 V18.5
• Title of publication: Crystalline Framework Material Containing Arrays of Vanadium Oxide Nanoclusters: A Polyoxovanadate Framework with Room Temperature NOxSensing Properties
• Authors of publication: Khan, M. Ishaque; Putrevu, Naga Ravikanth; Ayesh, Samar; Yohannes, Elizabeth H.; Cage, Brant; Doedens, Robert J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4667
• a: 15.675 ± 0.002 Å
• b: 15.675 ± 0.002 Å
• c: 15.675 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3851.4 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No