Information card for entry 7716862

Structure parameters

• Formula: C40 H41 Cu2 F6 N4 O7 S3
• Calculated formula: C40 H41 Cu2 F6 N4 O7 S3
• Title of publication: Bio-inspired copper complexes with Cu₂S cores: (solvent) effects on oxygen reduction reactions.
• Authors of publication: Mangue, Jordan; Wehrung, Iris; Pécaut, Jacques; Ménage, Stéphane; Orio, Maylis; Torelli, Stéphane
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 37
• Pages of publication: 15576 - 15582
• a: 11.0301 ± 0.0004 Å
• b: 13.4863 ± 0.0005 Å
• c: 15.6024 ± 0.0005 Å
• α: 71.825 ± 0.003°
• β: 89.191 ± 0.003°
• γ: 79.823 ± 0.003°
• Cell volume: 2168.36 ± 0.14 ų
• Cell temperature: 150.1 ± 0.5 K
• Ambient diffraction temperature: 150.1 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No