Information card for entry 7024342

Structure parameters

• Common name: (dithioacetato-k2S,S')(perthioacetato-k2S,S')nickel(II)
• Chemical name: (dithioacetato-k2S,S')(perthioacetato-k2S,S')nickel(II)
• Formula: C4 H6 Ni S5
• Calculated formula: C4 H6 Ni S5
• SMILES: [Ni]12(SSC(=[S]1)C)[S]=C(S2)C
• Title of publication: S-S bond reactivity in metal-perthiocarboxylato compounds.
• Authors of publication: Mas-Ballesté, Rubén; Guijarro, Alejandro; González-Prieto, Rodrigo; Castillo, Oscar; Sanz Miguel, Pablo J.; Zamora, Félix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1511 - 1518
• a: 7.755 ± 0.003 Å
• b: 11.059 ± 0.003 Å
• c: 12.411 ± 0.005 Å
• α: 90°
• β: 113.74 ± 0.05°
• γ: 90°
• Cell volume: 974.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No