Information card for entry 4315986

Structure parameters

• Formula: C6.5 H16 N O5.5 P V
• Calculated formula: C6.5 H14 N O5.5 P V
• Title of publication: Untypical [VOPO4]-Layer in Vanadyl Phosphates with Variant Interlayer Gap of Double-Tiered Template
• Authors of publication: Ya-Ching Yang; Yi-Chun Lai; Joel R. Salazar; Vítĕzslav Zima; Kwang-Hua Lii; Sue-Lein Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6196 - 6202
• a: 16.6765 ± 0.0004 Å
• b: 14.2927 ± 0.0003 Å
• c: 9.412 ± 0.0003 Å
• α: 90°
• β: 95.389 ± 0.001°
• γ: 90°
• Cell volume: 2233.46 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No