Information card for entry 7031140

Structure parameters

• Formula: C26 H22 Cu N4 O7 S2
• Calculated formula: C26 H22 Cu N4 O7 S2
• SMILES: [Cu]123([S](c4cccc5ccc[n]2c45)Cc2ccccc2C[S]1c1cccc2ccc[n]3c12)[OH2].N(=O)(=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: 11.481 ± 0.002 Å
• b: 14.804 ± 0.002 Å
• c: 15.622 ± 0.002 Å
• α: 90°
• β: 93.51 ± 0.01°
• γ: 90°
• Cell volume: 2650.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1565
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1355
• Weighted residual factors for significantly intense reflections: 0.1076
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No