Information card for entry 4125871

Structure parameters

• Formula: C16 H14 Co N3
• Calculated formula: C16 H14 Co N3
• SMILES: [Co]12345([N](=Nc6[n]1cccc6)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Multielectron Transfer at Cobalt: Influence of the Phenylazopyridine Ligand.
• Authors of publication: Waldie, Kate M.; Ramakrishnan, Srinivasan; Kim, Sung-Kwan; Maclaren, Jana K.; Chidsey, Christopher E. D.; Waymouth, Robert M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 12
• Pages of publication: 4540 - 4550
• a: 9.4249 ± 0.0003 Å
• b: 15.6731 ± 0.0007 Å
• c: 10.087 ± 0.0005 Å
• α: 90°
• β: 116.533 ± 0.002°
• γ: 90°
• Cell volume: 1333.09 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No