Information card for entry 7031134

Structure parameters

• Formula: C22 H20 Cu N4 O7 S2
• Calculated formula: C22 H20 Cu N4 O7 S2
• SMILES: [Cu]1234([S](c5cccc6ccc[n]3c56)CC[O]2CC[S]1c1cccc2ccc[n]4c12)ON(=O)=O.N(=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: 8.136 ± 0.004 Å
• b: 12.159 ± 0.008 Å
• c: 12.858 ± 0.007 Å
• α: 99.87 ± 0.01°
• β: 106.5 ± 0.01°
• γ: 104.65 ± 0.01°
• Cell volume: 1138.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.1437
• Weighted residual factors for significantly intense reflections: 0.1219
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No