Information card for entry 7031138

Structure parameters

• Formula: C24 H24 Cu2 N6 O14 S2
• Calculated formula: C24 H24 Cu2 N6 O14 S2
• SMILES: [Cu]12345[S](c6c7[n]4cccc7ccc6)CC[O]2CC[O]3CC[S]1c1c2[n]5cccc2ccc1.[Cu](ON(=O)=O)(ON(=O)=O)(ON(=O)=O)ON(=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: 15.429 ± 0.002 Å
• b: 9.924 ± 0.002 Å
• c: 20.516 ± 0.003 Å
• α: 90°
• β: 102.697 ± 0.009°
• γ: 90°
• Cell volume: 3064.5 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0537
• Goodness-of-fit parameter for all reflections: 0.781
• Goodness-of-fit parameter for significantly intense reflections: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No