Information card for entry 7032179

Structure parameters

• Formula: C19 H17 Cl2 Co N S2
• Calculated formula: C19 H17 Cl2 Co N S2
• SMILES: c1(ccccc1)[S]1Cc2cccc3C[S](c4ccccc4)[Co]1(Cl)(Cl)[n]23
• 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: 10.672 ± 0.0005 Å
• b: 8.4107 ± 0.0004 Å
• c: 23.5413 ± 0.0011 Å
• α: 90°
• β: 114.791 ± 0.002°
• γ: 90°
• Cell volume: 1918.31 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No