Information card for entry 7032177

Structure parameters

• Formula: C11 H17 Cl2 Co N S2
• Calculated formula: C11 H17 Cl2 Co N S2
• SMILES: C1c2cccc3C[S](CC)[Co]([n]23)([S]1CC)(Cl)Cl
• Title of publication: Coordination chemistry of Co complexes containing tridentate SNS ligands and their application as catalysts for the oxidation of n-octane.
• Authors of publication: Soobramoney, Lynette; Bala, Muhammad D.; Friedrich, Holger B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15968 - 15978
• a: 24.9529 ± 0.0009 Å
• b: 7.9877 ± 0.0003 Å
• c: 16.5411 ± 0.0006 Å
• α: 90°
• β: 112.111 ± 0.002°
• γ: 90°
• Cell volume: 3054.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No