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Information card for entry 2221985
Preview
Coordinates | 2221985.cif |
---|---|
Structure factors | 2221985.hkl |
Original IUCr paper | HTML |
Chemical name | <i>trans</i>-Diaquabis[(<i>E</i>)-3-(dimethylamino)-1-(2-pyridyl)prop-2- en-1-one-κ^2^<i>N</i>^1^,<i>O</i>]cobalt(II) dinitrate dihydrate |
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Formula | C20 H32 Co N6 O12 |
Calculated formula | C20 H32 Co N6 O12 |
SMILES | c12C(/C=C/N(C)C)=[O][Co]3([n]4ccccc4C(/C=C/N(C)C)=[O]3)([n]2cccc1)([OH2])[OH2].N(=O)(=O)[O-].O.N(=O)(=O)[O-].O |
Title of publication | <i>trans</i>-Diaquabis[(<i>E</i>)-3-(dimethylamino)-1-(2-pyridyl)prop-2-en-1-one-κ^2^<i>N</i>^1^,<i>O</i>]cobalt(II) dinitrate dihydrate |
Authors of publication | Bi, Jian-Hong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | m633 |
a | 7.822 ± 0.0019 Å |
b | 8.646 ± 0.002 Å |
c | 11.088 ± 0.003 Å |
α | 98.439 ± 0.004° |
β | 101.239 ± 0.004° |
γ | 108.467 ± 0.004° |
Cell volume | 679.9 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1462 |
Weighted residual factors for all reflections included in the refinement | 0.1482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 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/2221985.html
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