Information card for entry 2234797

Structure parameters

• Chemical name: Hexakis(dimethyl sulfoxide-κ<i>O</i>)calcium μ~6~-oxido-dodecakis-μ~2~-oxido-hexaoxidohexatungstate(VI)
• Formula: C12 H36 Ca O25 S6 W6
• Calculated formula: C12 H36 Ca O25 S6 W6
• SMILES: CS(C)=[O][Ca]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.O=[W]1234O[W]567([O]89%102[W]2%11(O5)(=O)O[W]9(O1)(O6)(=O)O[W]%10(O3)(O[W]8(O4)(O%11)(=O)O7)(=O)O2)=O
• Title of publication: Hexakis(dimethyl sulfoxide-κ<i>O</i>)calcium μ~6~-oxido-dodecakis-μ~2~-oxido-hexaoxidohexatungstate(VI)
• Authors of publication: Zhang, Jinfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m702
• a: 8.1871 ± 0.0016 Å
• b: 11.352 ± 0.002 Å
• c: 11.378 ± 0.002 Å
• α: 84.53 ± 0.03°
• β: 73.15 ± 0.03°
• γ: 74.02 ± 0.03°
• Cell volume: 972.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes