Information card for entry 4321068

Structure parameters

• Formula: C13 H24 Cl Cu O4 S4
• Calculated formula: C13 H24 Cl Cu O4 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: 10.8299 ± 0.0007 Å
• b: 16.8538 ± 0.001 Å
• c: 11.5157 ± 0.0007 Å
• α: 90°
• β: 116.493 ± 0.001°
• γ: 90°
• Cell volume: 1881.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections: 0.1515
• Weighted residual factors for significantly intense reflections: 0.1336
• Goodness-of-fit parameter for all reflections: 0.941
• Goodness-of-fit parameter for significantly intense reflections: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No