Information card for entry 4318242

Structure parameters

• Formula: C20 H23 N5 O18.5 P3 V4
• Calculated formula: C20 H18 N5 O18.5 P3 V4
• Title of publication: Synthesis, Crystal Structure, and Solid State NMR Spectroscopy of NH4[(V2O3)2(4,4'-bpy)2(H2PO4)(PO4)2].0.5H2O, a Mixed-Valence Vanadium(IV,V) Phosphate with a Pillared Layer Structure
• Authors of publication: Ling-I Hung; Sue-Lein Wang; Hsien-Ming Kao; Kwang-Hwa Lii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3929 - 3934
• a: 12.6354 ± 0.0008 Å
• b: 9.9786 ± 0.0006 Å
• c: 23.3689 ± 0.0014 Å
• α: 90°
• β: 92.713 ± 0.001°
• γ: 90°
• Cell volume: 2943.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No