Information card for entry 4086286

Structure parameters

• Formula: C32.5 H28 Co F3 O2 P2
• Calculated formula: C32.5 H28 Co F3 O2 P2
• 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: 15.8852 ± 0.0003 Å
• b: 12.0588 ± 0.0002 Å
• c: 15.3725 ± 0.0003 Å
• α: 90°
• β: 96.624 ± 0.0009°
• γ: 90°
• Cell volume: 2925.04 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No