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Information card for entry 4104978
Preview
Coordinates | 4104978.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H41 Cl3 Co2 N6 O17.5 P |
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Calculated formula | C19 H40 Cl3 Co2 N6 O17.5 P |
SMILES | [Co]1234([OH][Co]56([NH]7CC[NH]6CC[NH]5CC7)([OH]3)[O]=P(O4)(Oc3ccccc3)C)[NH]3CC[NH]1CC[NH]2CC3.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 | 10.3104 ± 0.0008 Å |
b | 18.2269 ± 0.0016 Å |
c | 19.6351 ± 0.0017 Å |
α | 69.55 ± 0.003° |
β | 76.632 ± 0.003° |
γ | 73.969 ± 0.002° |
Cell volume | 3285.6 ± 0.5 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 | 0.1062 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.137 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.842 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4104978.html
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