Information card for entry 7126925

Structure parameters

• Formula: C38 H42 Cl6 Cu2 F6 N6 O8 S3
• Calculated formula: C38 H42 Cl6 Cu2 F6 N6 O8 S3
• Title of publication: Controlled O₂ reduction at a mixed-valent (II,I) Cu₂S core.
• Authors of publication: Mangue, Jordan; Gondre, Clément; Pécaut, Jacques; Duboc, Carole; Ménage, Stéphane; Torelli, Stéphane
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 67
• Pages of publication: 9636 - 9639
• a: 12.9903 ± 0.0004 Å
• b: 14.2793 ± 0.0005 Å
• c: 15.5742 ± 0.0006 Å
• α: 74.072 ± 0.003°
• β: 66.275 ± 0.003°
• γ: 86.862 ± 0.003°
• Cell volume: 2538.12 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No