Information card for entry 2011595

Structure parameters

• Chemical name: Triammonium cis-diaqua-cis-dioxo-trans-disulfatovanadate hemitrihydrate
• Formula: H19 N3 O13.5 S2 V
• Calculated formula: H19 N3 O13.5 S2 V
• Title of publication: (NH~4~)~3~[VO~2~(SO~4~)~2~(H~2~O)~2~]·1.5H~2~O
• Authors of publication: Hashimoto, Masato; Kubata, Michiru; Yagasaki, Atsushi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1411 - 1412
• a: 7.748 ± 0.002 Å
• b: 14.164 ± 0.003 Å
• c: 6.268 ± 0.002 Å
• α: 91.54 ± 0.02°
• β: 95.3 ± 0.02°
• γ: 88.25 ± 0.02°
• Cell volume: 684.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes