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Information card for entry 2016312
Preview
Coordinates | 2016312.cif |
---|---|
Structure factors | 2016312.hkl |
Original IUCr paper | HTML |
Chemical name | tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2-\ olato)cadmium(II) dihydrate |
---|---|
Formula | C16 H14 Cd N8 O10 |
Calculated formula | C16 H14 Cd N8 O10 |
SMILES | [OH2][Cd](N=C=C1C(C(=O)NC1=O)=C(C#N)C#N)(N=C=C1C(=O)NC(=O)C1=C(C#N)C#N)([OH2])([OH2])[OH2].O.O |
Title of publication | Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium |
Authors of publication | Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 12 |
Pages of publication | m541 - m547 |
a | 6.987 ± 0.002 Å |
b | 8.645 ± 0.002 Å |
c | 10.567 ± 0.003 Å |
α | 105.48 ± 0.02° |
β | 97.08 ± 0.02° |
γ | 110.28 ± 0.03° |
Cell volume | 560.3 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0339 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0696 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/2016312.html
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Users of the data should acknowledge the original authors of the
structural data.