Information card for entry 4303973

Structure parameters

• Formula: C22 H31 Co S4
• Calculated formula: C22 H31 Co S4
• SMILES: [Co]12345(Sc6c(S1)cc(SC(C)C)c(SC(C)C)c6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Dinuclear Cp* Cobalt Complexes of the 1,2,4,5-Benzenetetrathiolate Bischelating Ligand
• Authors of publication: Mitsushiro Nomura; Marc Fourmigué
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1301 - 1312
• a: 14.341 ± 0.004 Å
• b: 17.836 ± 0.004 Å
• c: 18.804 ± 0.005 Å
• α: 90°
• β: 96.203 ± 0.012°
• γ: 90°
• Cell volume: 4782 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No