Information card for entry 2213135

Structure parameters

• Chemical name: Bis(4,6-dibromo-2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')bis(dimethyl sulfoxide-κO)nickel(II)
• Formula: C18 H18 Br4 Ni O6 S2
• Calculated formula: C18 H18 Br4 Ni O6 S2
• SMILES: c12c(cc(Br)cc2C=[O][Ni]2(O1)(Oc1c(cc(cc1C=[O]2)Br)Br)([O]=S(C)C)[O]=S(C)C)Br
• Title of publication: Bis(4,6-dibromo-2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')bis(dimethyl sulfoxide-κ<i>O</i>)nickel(II)
• Authors of publication: Zhang, Shu-Hua; Li, Guang-Zhao; Feng, Xiao-Zhen; Liu Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1319 - m1320
• a: 12.969 ± 0.002 Å
• b: 12.547 ± 0.002 Å
• c: 7.764 ± 0.001 Å
• α: 90°
• β: 95.865 ± 0.001°
• γ: 90°
• Cell volume: 1256.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes