Information card for entry 7031133

Structure parameters

• Formula: C20 H18 Cl Cu N2 O4 S2
• Calculated formula: C20 H18 Cl Cu N2 O4 S2
• SMILES: c12cccc3c1[n]([Cu]1([S]3C)[n]3cccc4cccc(c34)[S]1C)ccc2.[O-]Cl(=O)(=O)=O
• Title of publication: The copper(i)/copper(ii) transition in complexes with 8-alkylthioquinoline based multidentate ligandsElectronic supplementary information (ESI) available. Schemes S1 and S2, Figs. S1‒S7, selected bond lengths and angles and preparation of complexes. See http://www.rsc.org/suppdata/dt/b2/b208120m/
• Authors of publication: Su, Cheng-Yong; Liao, Sen; Wanner, Matthias; Fiedler, Jan; Zhang, Cheng; Kang, Bei-Sheng; Kaim, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 2
• Pages of publication: 189
• a: 12.3793 ± 0.0019 Å
• b: 12.872 ± 0.002 Å
• c: 14.528 ± 0.003 Å
• α: 90°
• β: 113.533 ± 0.012°
• γ: 90°
• Cell volume: 2122.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0899
• 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