Information card for entry 2015664

Structure parameters

• Chemical name: propane-1,3-diammonium tetravanadate
• Formula: C3 H12 N2 O10 V4
• Calculated formula: C3 H12 N2 O10 V4
• Title of publication: A second polymorph of [H~3~N(CH~2~)~3~NH~3~][V~4~O~10~]
• Authors of publication: Nicholas F. Stephens; Philip Lightfoot
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m566 - m568
• a: 7.977 ± 0.003 Å
• b: 10.099 ± 0.003 Å
• c: 15.21 ± 0.005 Å
• α: 90°
• β: 104.075 ± 0.011°
• γ: 90°
• Cell volume: 1188.5 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0279
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes