Information card for entry 7031136

Structure parameters

• Formula: C22 H20 B Cu F4 N2 O S2
• Calculated formula: C22 H20 B Cu F4 N2 O S2
• SMILES: [Cu]123[S](c4c5[n]3cccc5ccc4)CCOCC[S]2c2c3[n]1cccc3ccc2.[B](F)(F)(F)[F-]
• 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: 10.8405 ± 0.0002 Å
• b: 10.9739 ± 0.0002 Å
• c: 11.4155 ± 0.0002 Å
• α: 66.18 ± 0.001°
• β: 72.658 ± 0.001°
• γ: 69.596 ± 0.001°
• Cell volume: 1144.64 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2279
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No