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Information card for entry 4104977
Preview
Coordinates | 4104977.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H41 Cl4 Co2 N6 O18 P |
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Calculated formula | C19 H39 Cl4 Co2 N6 O18 P |
SMILES | [Co]1234([OH][Co]56([OH]1)([O]=P(O3)(Oc1ccc(Cl)cc1)C)[NH]1CC[NH]6CC[NH]5CC1)[NH]1CC[NH]4CC[NH]2CC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O |
Title of publication | Mechanism and Transition State Structure of Aryl Methylphosphonate Esters Doubly Coordinated to a Dinuclear Cobalt(III) Center |
Authors of publication | Guoqiang Feng; Eric A. Tanifum; Harry Adams; Alvan C. Hengge; Nicholas H. Williams |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 12771 - 12779 |
a | 9.642 ± 0.001 Å |
b | 12.0145 ± 0.0013 Å |
c | 15.1903 ± 0.0016 Å |
α | 86.042 ± 0.002° |
β | 83.851 ± 0.002° |
γ | 74.685 ± 0.002° |
Cell volume | 1685.9 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0726 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/4104977.html
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