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Information card for entry 2014822
Preview
Coordinates | 2014822.cif |
---|---|
Structure factors | 2014822.hkl |
Original IUCr paper | HTML |
Common name | cobaloxime |
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Chemical name | [(S)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^N,N')[(S)-1- phenylethylamine]cobalt(III) |
Formula | C19 H31 Co N6 O5 |
Calculated formula | C19 H31 Co N6 O5 |
SMILES | [Co]12(N([O])C(=C(N1O)C)C)(N([O])C(=C(N2O)C)C)([NH2][C@H](c1ccccc1)C)[C@H](C(=O)N)C |
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 | 8.743 ± 0.002 Å |
b | 14.696 ± 0.003 Å |
c | 8.565 ± 0.003 Å |
α | 90° |
β | 93.29 ± 0.02° |
γ | 90° |
Cell volume | 1098.7 ± 0.5 Å3 |
Cell temperature | 223 K |
Ambient diffraction temperature | 223 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.063 |
Weighted residual factors for all reflections included in the refinement | 0.0658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
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/2014822.html
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Users of the data should acknowledge the original authors of the
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