Information card for entry 4086288

Structure parameters

• Formula: C36 H33 Co F3 O P3
• Calculated formula: C36 H33 Co F3 O P3
• SMILES: [Co]12([P](CC[P]1(c1ccccc1)c1ccccc1)(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])C(F)(F)F
• Title of publication: Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes
• Authors of publication: Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4598
• a: 7.9032 ± 0.0005 Å
• b: 19.0147 ± 0.0014 Å
• c: 21.3182 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3203.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No