Information card for entry 7031132

Structure parameters

• Formula: C22 H22 Cl2 Cu N2 O8 S2
• Calculated formula: C22 H22 Cl2 Cu N2 O8 S2
• SMILES: c1ccc2c3[n]1[Cu]1([n]4cccc5c4c(ccc5)[S]1CC)(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)[S](c3ccc2)CC
• 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: 7.863 ± 0.003 Å
• b: 8.983 ± 0.002 Å
• c: 9.942 ± 0.002 Å
• α: 66.95 ± 0.02°
• β: 87.32 ± 0.02°
• γ: 79.51 ± 0.02°
• Cell volume: 635.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No