Information card for entry 4347974

Structure parameters

• Formula: C40 H39 Cu2 F9 N8 O11.58 S4
• Calculated formula: C40 H39 Cu2 F9 N8 O11.578 S4
• Title of publication: Redox-Innocent Metal-Assisted Cleavage of S-S Bond in a Disulfide-Containing Ligand.
• Authors of publication: Esmieu, Charlène; Orio, Maylis; Le Pape, Laurent; Lebrun, Colette; Pécaut, Jacques; Ménage, Stéphane; Torelli, Stéphane
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6208 - 6217
• a: 13.0878 ± 0.001 Å
• b: 18.9012 ± 0.0013 Å
• c: 20.7938 ± 0.0014 Å
• α: 90°
• β: 104.188 ± 0.008°
• γ: 90°
• Cell volume: 4987 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No