Information card for entry 7011790

Structure parameters

• Chemical name: hexakis(dimethylsulfoxide)nickel(II) chloride
• Formula: C16 H48 Cl2 Ni O8 S8
• Calculated formula: C16 H48 Cl2 Ni O8 S8
• SMILES: CS(C)=[O][Ni]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Cl-].O=S(C)C.CS(C)=O.[Cl-]
• Title of publication: Reactivity of five- and six-coordinated solvates. A complex formation and crystallographic study of the nickel(II) bromide and iodide systems in dimethyl sulfoxide and N,N'-dimethylpropyleneurea
• Authors of publication: Bobicz, Dorota; Kristiansson, Olof; Persson, Ingmar
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4201 - 4205
• a: 9.952 ± 0.0016 Å
• b: 10.2209 ± 0.0016 Å
• c: 11.0282 ± 0.0018 Å
• α: 64.208 ± 0.004°
• β: 66.751 ± 0.003°
• γ: 87.62 ± 0.003°
• Cell volume: 916.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No