Information card for entry 2233307

Structure parameters

• Chemical name: Hexakis(dimethyl sulfoxide-κ<i>O</i>)nickel(II) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Formula: C20 H36 N4 Ni2 O6 S10
• Calculated formula: C20 H36 N4 Ni2 O6 S10
• 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.N#CC(=C1S[Ni]2(SC(=C(C#N)C#N)S2)S1)C#N
• Title of publication: Hexakis(dimethyl sulfoxide-κ<i>O</i>)nickel(II) bis(2,2-dicyanoethene-1,1-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)
• Authors of publication: Niu, Meiju; Fan, Shumei; Liu, Guihua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m67
• a: 8.3368 ± 0.001 Å
• b: 12.6763 ± 0.0017 Å
• c: 18.71 ± 0.002 Å
• α: 90°
• β: 102.466 ± 0.002°
• γ: 90°
• Cell volume: 1930.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes