Information card for entry 7022051

Structure parameters

• Formula: C54 H60 Cu2 F12 N10 O14 S4
• Calculated formula: C54 H40 Cu2 F12 N10 O14 S4
• Title of publication: Electrochemical behavior and dioxygen reactivity of tripodal dinuclear copper complexes linked by unsaturated rigid spacers.
• Authors of publication: Gomila, Antoine; Le Poul, Nicolas; Kerbaol, Jean-Michel; Cosquer, Nathalie; Triki, Smaïl; Douziech, Bénédicte; Conan, Françoise; Le Mest, Yves
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2238 - 2253
• a: 11.1778 ± 0.0004 Å
• b: 12.306 ± 0.0004 Å
• c: 13.5309 ± 0.0005 Å
• α: 82.557 ± 0.003°
• β: 69.394 ± 0.003°
• γ: 77.618 ± 0.003°
• Cell volume: 1698.65 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No