Information card for entry 4303969

Structure parameters

• Formula: C16 H19 Co S2
• Calculated formula: C16 H19 Co S2
• SMILES: [Co]12345(Sc6c(S1)cccc6)[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: 8.1353 ± 0.0009 Å
• b: 13.5274 ± 0.0014 Å
• c: 13.6835 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1505.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No