Information card for entry 7046640

Structure parameters

• Formula: C42 H44 Co2 F18 N11 O3 P3
• Calculated formula: C42 H44 Co2 F17.98 N11 O3 P3
• Title of publication: Oxygen activation at a dicobalt centre of a dipyridylethane naphthyridine complex.
• Authors of publication: Brodsky, Casey N.; Passard, Guillaume; Ullman, Andrew M.; Jaramillo, David E.; Bloch, Eric D.; Huynh, Michael; Gygi, David; Costentin, Cyrille; Nocera, Daniel G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11903 - 11908
• a: 12.5331 ± 0.0008 Å
• b: 13.0787 ± 0.0008 Å
• c: 16.5949 ± 0.001 Å
• α: 91.988 ± 0.001°
• β: 108.137 ± 0.001°
• γ: 101.081 ± 0.001°
• Cell volume: 2523.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0622
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No