Information card for entry 4076379

Structure parameters

• Formula: C16 H33 Co F3 N O4 P2 S
• Calculated formula: C16 H33 Co F3 N O4 P2 S
• Title of publication: Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1)
• Authors of publication: Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2219
• a: 18.8272 ± 0.0015 Å
• b: 16.3686 ± 0.0013 Å
• c: 15.3104 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4718.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No