Information card for entry 7110348

Structure parameters

• Formula: C26 H20 Co F6 P
• Calculated formula: C26 H20 Co F6 P
• SMILES: [Co]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([cH]6[cH]1[cH]2[cH]3[cH]46)[C](F)(F)=[C]5(F)C(F)(F)F
• Title of publication: Stepwise addition of difluorocarbene to a transition metal centre
• Authors of publication: Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1128
• a: 11.9397 ± 0.0004 Å
• b: 10.3337 ± 0.0003 Å
• c: 18.4688 ± 0.0006 Å
• α: 90°
• β: 90.5376 ± 0.0017°
• γ: 90°
• Cell volume: 2278.6 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1549
• 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: No
• Has Fobs: No