Information card for entry 7049249

Structure parameters

• Chemical name: [CeV12O32Cl][CeCl(DMSO)7]
• Formula: C26 H76.39 Ce2 Cl2 O45 S13 V12
• Calculated formula: C26 H76.3887 Ce2 Cl2 O45 S13 V12
• 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: 13.6185 ± 0.0011 Å
• b: 20.5438 ± 0.0014 Å
• c: 29.162 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8158.8 ± 1 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections: 0.2644
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No