Information card for entry 7037703

Structure parameters

• Formula: C14 H22 Cl2 Co N2 O S
• Calculated formula: C14 H22 Cl2 Co N2 O S
• SMILES: [Co]1(Cl)(Cl)[N]2(CCOCC2)CC[NH]1CCSc1ccccc1
• Title of publication: First-row transition metal complexes of ENENES ligands: the ability of the thioether donor to impact the coordination chemistry.
• Authors of publication: Dub, Pavel A.; Scott, Brian L.; Gordon, John C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1560 - 1571
• a: 7.127 ± 0.002 Å
• b: 11.307 ± 0.004 Å
• c: 11.422 ± 0.004 Å
• α: 98.291 ± 0.003°
• β: 107.707 ± 0.003°
• γ: 94.031 ± 0.004°
• Cell volume: 861.3 ± 0.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No