Information card for entry 7004878

Structure parameters

• Formula: C12 H24 Cl2 Cu O10 S4
• Calculated formula: C12 H24 Cl2 Cu O9.98 S4.02
• Title of publication: Comparative study of donor atom effects on the thermodynamic and electron-transfer kinetic properties of copper(II/I) complexes with sexadentate macrocyclic ligands. [CuII/I([18]aneS4N2)] and [CuII/I([18]aneS4O2)].
• Authors of publication: Chaka, Gezahegn; Kandegedara, Ashoka; Heeg, Mary Jane; Rorabacher, D. B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 449 - 458
• a: 10.4913 ± 0.0015 Å
• b: 10.4913 ± 0.0015 Å
• c: 5.4814 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 522.49 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No