Information card for entry 7011791

Structure parameters

• Chemical name: hexakis(dimethylsulfoxide)nickel(II) bromide
• Formula: C16 H48 Br2 Ni O8 S8
• Calculated formula: C16 H48 Br2 Ni O8 S8
• SMILES: [Br-].CS(C)=[O][Ni]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.O=S(C)C.[Br-].CS(C)=O
• 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: 9.9 ± 0.005 Å
• b: 10.38 ± 0.006 Å
• c: 11.295 ± 0.006 Å
• α: 63.608 ± 0.012°
• β: 67.713 ± 0.008°
• γ: 87.889 ± 0.009°
• Cell volume: 949.8 ± 0.9 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: 0.1676
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2355
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No