Information card for entry 4321338

Structure parameters

• Common name: Vanadium borophosphate
• Formula: B H22 N5 O20 P3 V3
• Calculated formula: B N5 O20 P3 V3
• SMILES: [V]1234(O[V]567(O[V]89([O]27[B](OP(=O)(O5)O3)(OP(=O)(O6)O8)OP(=O)(O9)O1)(O4)=O)=O)=O.O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: The Vanadium(V) Borophosphate (NH4)5[V3BP3O19].H2O
• Authors of publication: Ranko P. Bontchev; Junghwan Do; Allan J. Jacobson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4179 - 4181
• a: 8.9861 ± 0.0007 Å
• b: 9.1766 ± 0.0008 Å
• c: 13.6563 ± 0.0011 Å
• α: 82.763 ± 0.001°
• β: 89.169 ± 0.002°
• γ: 68.154 ± 0.001°
• Cell volume: 1036.29 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0444
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.0993
• Goodness-of-fit parameter for all reflections: 1.37
• Goodness-of-fit parameter for significantly intense reflections: 1.404
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No