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Information card for entry 2016952
Preview
Coordinates | 2016952.cif |
---|---|
Structure factors | 2016952.hkl |
Original IUCr paper | HTML |
Chemical name | rubidium(I) 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate |
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Formula | C8 H N4 O2 Rb |
Calculated formula | C8 H N4 O2 Rb |
SMILES | [Rb+].O=C1C(C(=C([O-])N1)C#N)=C(C#N)C#N |
Title of publication | Luminescence properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and alkaline metals (Na, K and Rb) |
Authors of publication | Tafeenko, Viktor A.; Gurskiy, Stanislav I.; Baranov, Andrey N.; Kaisarova, Tatiana V.; Aslanov, Leonid A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 2 |
Pages of publication | m52 - m55 |
a | 4.2753 ± 0.0005 Å |
b | 9.6013 ± 0.0009 Å |
c | 21.614 ± 0.002 Å |
α | 90° |
β | 95.215 ± 0.009° |
γ | 90° |
Cell volume | 883.55 ± 0.16 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2016952.html
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Users of the data should acknowledge the original authors of the
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