Information card for entry 4321070

Structure parameters

• Formula: C13 H26 Cl2 Cu O9 S4
• Calculated formula: C13 H24 Cl2 Cu O9 S4
• Title of publication: Effect of Conformational Constraints on Gated Electron-Transfer Kinetics. 3. Copper(II/I) Complexes with cis- and trans-Cyclopentanediyl-1,4,8,11-tetrathiacyclotetradecane1
• Authors of publication: Prabodha Wijetunge; Chandrika P. Kulatilleke; Luke T. Dressel; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2897 - 2905
• a: 16.2369 ± 0.0009 Å
• b: 13.6473 ± 0.0008 Å
• c: 10.4642 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2318.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.13
• Weighted residual factors for significantly intense reflections: 0.1192
• Goodness-of-fit parameter for all reflections: 0.94
• Goodness-of-fit parameter for significantly intense reflections: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No