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Information card for entry 2014823
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Coordinates | 2014823.cif |
---|---|
Structure factors | 2014823.hkl |
Original IUCr paper | HTML |
Common name | cobaloxime |
---|---|
Chemical name | bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)- 1-phenylethylamine]cobalt(III) monohydrate |
Formula | C20 H35 Co N6 O6 |
Calculated formula | C20 H35 Co N6 O6 |
SMILES | [Co]12([N](O)=C(C(=[N]1[O])C)C)([N](O)=C(C(=[N]2[O])C)C)([NH2][C@@H](c1ccccc1)C)[C@@H](C(=O)NC)C.O |
Title of publication | [(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate |
Authors of publication | Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 4 |
Pages of publication | m190 - m193 |
a | 14.1206 ± 0.0019 Å |
b | 14.169 ± 0.002 Å |
c | 12.372 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2475.3 ± 0.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1613 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014823.html
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