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Information card for entry 4125872
Preview
Coordinates | 4125872.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H17 Cl2 Co N4 O8 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4125872.html
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