Information card for entry 4322476

Structure parameters

• Formula: C10 H22 Cl2 Cu O11 S4
• Calculated formula: C10 H22 Cl2 Cu O11 S4
• SMILES: [Cu]123([S]4[C@@H]5C[S]1CC[S]2CC[S]3C[C@H]4COC5)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: A Structural Strategy for Generating Rapid Electron-Transfer Kinetics in Copper(II/I) Systems
• Authors of publication: Ksenia Krylova; Chandrika P. Kulatilleke; Mary Jane Heeg; Cynthia A. Salhi; L. A. Ochrymowycz; D. B. Rorabacher
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4322 - 4328
• a: 15.774 ± 0.002 Å
• b: 8.485 ± 0.005 Å
• c: 16.508 ± 0.009 Å
• α: 90°
• β: 112.11 ± 0.06°
• γ: 90°
• Cell volume: 2047 ± 1.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0896
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.0998
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No