Information card for entry 7004789

Structure parameters

• Formula: C22 H32 Co F4 O P3
• Calculated formula: C22 H32 Co F4 O P3
• SMILES: c12c(c(c(c(c1C(c1ccccc1)=[O][Co]2([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)F)F)F)F
• Title of publication: First regioselective cyclometalation reactions of cobalt in arylketones: C‒H versus C‒F activation
• Authors of publication: Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5701 - 5704
• a: 12.7954 ± 0.0016 Å
• b: 14.83 ± 0.002 Å
• c: 17.434 ± 0.002 Å
• α: 90°
• β: 130.89 ± 0.008°
• γ: 90°
• Cell volume: 2500.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No