Information card for entry 4315984

Structure parameters

• Formula: C6 H15 N O5.5 P V
• Calculated formula: C6 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: 16.3461 ± 0.0009 Å
• b: 14.2641 ± 0.0008 Å
• c: 9.4037 ± 0.0005 Å
• α: 90°
• β: 94.519 ± 0.001°
• γ: 90°
• Cell volume: 2185.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No