Information card for entry 6000498

Structure parameters

• Formula: C15 H11 N3 O12 V5
• Calculated formula: C15 H11 N3 O12 V5
• Title of publication: Structural influences of organonitrogen ligands on vanadium oxide solids. Hydrothermal syntheses and structures of the terpyridine vanadates [V2O4(terpy)(2)](3)[V10O28], [VO2(terpy)][V4O10], and [V9O22(terpy)(3)]
• Authors of publication: Pamela J. Hagrman; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3252 - 3260
• a: 7.7771 ± 0.0001 Å
• b: 10.3595 ± 0.0002 Å
• c: 25.715 ± 0.0004 Å
• α: 90°
• β: 92.286 ± 0.001°
• γ: 90°
• Cell volume: 2070.13 ± 0.06 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No