Information card for entry 4320788

Structure parameters

• Formula: C2 H9.2 K6 O6.6 S19 V4
• Calculated formula: C2 H6 K6 O6.6 S19 V4
• Title of publication: Synthesis and Characterization of New Oxidopolysulfidovanadates
• Authors of publication: Mehtap Emirdag-Eanes; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6910 - 6912
• a: 31.047 ± 0.003 Å
• b: 12.5355 ± 0.0011 Å
• c: 8.7822 ± 0.0008 Å
• α: 90°
• β: 93.127 ± 0.002°
• γ: 90°
• Cell volume: 3412.9 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No