Information card for entry 7004791

Structure parameters

• Formula: C22 H36 Co O P3
• Calculated formula: C22 H36 Co O P3
• SMILES: [Co]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[O]=C(c2c1cccc2)c1ccccc1
• 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: 16.4913 ± 0.0009 Å
• b: 9.5041 ± 0.0005 Å
• c: 15.8471 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2483.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No