Information card for entry 7004790

Structure parameters

• Formula: C22 H36 Co F O P3
• Calculated formula: C22 H36 Co F O P3
• SMILES: [C]1(c2c(cccc2)F)(c2ccccc2)[Co]([O]=1)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• 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: 9.722 ± 0.0012 Å
• b: 17.135 ± 0.0013 Å
• c: 15.439 ± 0.0011 Å
• α: 90 ± 0.012°
• β: 101.03 ± 0.012°
• γ: 90 ± 0.012°
• Cell volume: 2524.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No