Information card for entry 4066232

Structure parameters

• Formula: C14 H33 Co F3 O4 P3 S
• Calculated formula: C14 H33 Co F3 O4 P3 S
• SMILES: [Co]123([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[CH2]=[CH]1[CH]2=[CH]3O.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis, Structure, Spectroscopy, and Reactivity of Oxapentadienyl−Cobalt−Phosphine Complexes†,(1)
• Authors of publication: Bleeke, John R.; Lutes, Bryn L.; Lipschutz, Michael; Sakellariou-Thompson, Donastas; Lee, John Seonghyun; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5057
• a: 8.4154 ± 0.0006 Å
• b: 10.1041 ± 0.0006 Å
• c: 13.1407 ± 0.001 Å
• α: 90.567 ± 0.004°
• β: 98.475 ± 0.004°
• γ: 92.082 ± 0.004°
• Cell volume: 1104.29 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No