Information card for entry 7049252

Structure parameters

• Chemical name: [Bi2(DMSO)6V12O33Br]2[Cu(DMSO)6]11DMSO
• Formula: C29.33 H87.45 Bi2 Br Cu0.5 O47.67 S14.67 V12
• Calculated formula: C29.33 H87.45 Bi2 Br Cu0.5 O47.665 S14.665 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: 17.5211 ± 0.0004 Å
• b: 17.6944 ± 0.0005 Å
• c: 17.7072 ± 0.0004 Å
• α: 119.338 ± 0.0011°
• β: 90.7032 ± 0.0013°
• γ: 107.71 ± 0.0014°
• Cell volume: 4471.9 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9948
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No