Information card for entry 4125870

Structure parameters

• Formula: C16 H14 Co I2 N3 O2
• Calculated formula: C14 H16 Co I2 N3 O
• SMILES: I[Co]12345([n]6c(c7[n]5[nH]cc7)cccc6)[cH]5[cH]4[cH]3[cH]2[cH]15.[I-].OC
• 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: 13.0049 ± 0.0005 Å
• b: 11.7607 ± 0.0005 Å
• c: 11.634 ± 0.0005 Å
• α: 90°
• β: 99.373 ± 0.002°
• γ: 90°
• Cell volume: 1755.63 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No