Information card for entry 7049495

Structure parameters

• Formula: C52 H74 F8 N2 Ni O P2
• Calculated formula: C52 H74 F8 N2 Ni O P2
• Title of publication: C-F activation of perfluorophenazine at nickel: selectivity and mechanistic investigations.
• Authors of publication: Torres, Òscar; Pfister, Nils; Braun, Thomas; Wittwer, Philipp
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6153 - 6161
• a: 11.9941 ± 0.0006 Å
• b: 13.6197 ± 0.0007 Å
• c: 17.6604 ± 0.001 Å
• α: 72.302 ± 0.002°
• β: 72.776 ± 0.002°
• γ: 66.228 ± 0.002°
• Cell volume: 2464.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No