Information card for entry 4125872

Structure parameters

• Formula: C18 H17 Cl2 Co N4 O8
• Calculated formula: C18 H17 Cl2 Co N4 O8
• SMILES: [Co]12345([N](=Nc6[n]1cccc6)c1ccccc1)([N]#CC)[cH]1[cH]2[cH]3[cH]4[cH]51.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 7.1818 ± 0.0004 Å
• b: 10.1423 ± 0.0006 Å
• c: 14.485 ± 0.0008 Å
• α: 90°
• β: 91.667 ± 0.002°
• γ: 90°
• Cell volume: 1054.64 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No