Information card for entry 1566374

Structure parameters

• Common name: Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1-)]nickel(II)
• Chemical name: Bis[1,2-bis(4-chlorophenyl)-2-sulfanylideneethane-1-thiolato]nickel(II)
• Formula: C28 H16 Cl4 Ni S4
• Calculated formula: C28 H16 Cl4 Ni S4
• SMILES: [Ni]12(SC(=C(S2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)SC(=C(S1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
• Title of publication: Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II)
• Authors of publication: Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 2
• Pages of publication: x220148
• a: 9.5487 ± 0.0004 Å
• b: 11.4141 ± 0.0004 Å
• c: 15.0254 ± 0.0006 Å
• α: 107.486 ± 0.002°
• β: 94.791 ± 0.002°
• γ: 111.423 ± 0.002°
• Cell volume: 1419.16 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes