Information card for entry 4132766

Structure parameters

• Formula: C17 H15 Co F3 N3 O3 S
• Calculated formula: C17 H15 Co F3 N3 O3 S
• SMILES: [Co]12345(N(Nc6[n]1cccc6)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Protonation of a Cobalt Phenylazopyridine Complex at the Ligand Yields a Proton, Hydride, and Hydrogen Atom Transfer Reagent.
• Authors of publication: McLoughlin, Elizabeth A.; Waldie, Kate M.; Ramakrishnan, Srinivasan; Waymouth, Robert M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 41
• Pages of publication: 13233 - 13241
• a: 9.1975 ± 0.0005 Å
• b: 10.2549 ± 0.0006 Å
• c: 10.7336 ± 0.0006 Å
• α: 86.647 ± 0.002°
• β: 87.81 ± 0.002°
• γ: 65.188 ± 0.002°
• Cell volume: 917.26 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0375
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No