Information card for entry 4323102

Structure parameters

• Formula: Cl Cs6 H14 Nb3 O49.5 P W9
• Calculated formula: Cl Cs6 Nb3 O49.5 P W9
• Title of publication: Triniobium Polytungstophosphates. Syntheses, Structures, Clarification of Isomerism and Reactivity in the Presence of H2O2
• Authors of publication: Mason K. Harrup; Gyu-Shik Kim; Huadong Zeng; Rhoma P. Johnson; Don VanDerveer; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5550 - 5556
• a: 16.9236 ± 0.0001 Å
• b: 13.5721 ± 0.0002 Å
• c: 22.3189 ± 0.0001 Å
• α: 90°
• β: 92.046 ± 0.001°
• γ: 90°
• Cell volume: 5123.13 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.1313
• Goodness-of-fit parameter for all reflections: 0.981
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No