Information card for entry 7037706

Structure parameters

• Formula: C18 H31 Cl2 Cu N2 O S
• Calculated formula: C15 H24 Cl2 Cu N2 O S
• SMILES: [Cu]12(Cl)(Cl)[S](CC[NH]2CC[N]21CCOCC2)Cc1ccccc1
• 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: 13.2833 ± 0.0017 Å
• b: 11.5401 ± 0.0015 Å
• c: 26.694 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4091.9 ± 1 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No