Information card for entry 7049250

Structure parameters

• Chemical name: [H2V10O28][VO(DMSO)5]2
• Formula: C3.15 H9.7 O5.32 S1.58 V1.5
• Calculated formula: C3.15 H9.7 O5.325 S1.575 V1.5
• Title of publication: A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.
• Authors of publication: Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4555 - 4564
• a: 11.9361 ± 0.0004 Å
• b: 11.9973 ± 0.0004 Å
• c: 13.9248 ± 0.0005 Å
• α: 98.3028 ± 0.0013°
• β: 111.484 ± 0.0013°
• γ: 91.0122 ± 0.0013°
• Cell volume: 1830.65 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1117
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for all reflections: 0.3317
• Weighted residual factors for significantly intense reflections: 0.3128
• Weighted residual factors for all reflections included in the refinement: 0.3317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.449
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No