Information card for entry 4347972

Structure parameters

• Formula: C42 H46 Cu2 F9 N7 O13 S4
• Calculated formula: C42 H46 Cu2 F9 N7 O13 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: 12.1289 ± 0.0003 Å
• b: 19.7968 ± 0.0014 Å
• c: 22.255 ± 0.0011 Å
• α: 90°
• β: 101.161 ± 0.004°
• γ: 90°
• Cell volume: 5242.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No