Information card for entry 4076381

Structure parameters

• Formula: C22 H49 Co F6 N O10 P3 S2
• Calculated formula: C22 H49 Co F6 N O10 P3 S2
• SMILES: [Co]123([P](OC)(OC)OC)([P](C)(C)C)([P](C)(C)C)[CH2]=[CH]1[CH]2=[CH]3[NH2+]C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(=O)(C)C
• 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: 15.2319 ± 0.0016 Å
• b: 11.8561 ± 0.0012 Å
• c: 20.623 ± 0.002 Å
• α: 90°
• β: 97.346 ± 0.005°
• γ: 90°
• Cell volume: 3693.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No