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Information card for entry 2016314
Preview
Coordinates | 2016314.cif |
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Structure factors | 2016314.hkl |
Original IUCr paper | HTML |
Chemical name | poly[[decaaqua-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H- pyrrol-2-olato-κ^2^N:N')bis(μ~2~-3-cyano-4-dicyanomethylene-3H-pyrrole- 2,5-diolate-κ^2^N:N')dicadmium] 0.5-hydrate] |
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Formula | C32 H23 Cd3 N16 O18.5 |
Calculated formula | C64 H44 Cd6 N32 O37 |
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 | 18.3348 ± 0.0012 Å |
b | 19.964 ± 0.0015 Å |
c | 13.5231 ± 0.0011 Å |
α | 90° |
β | 119.77 ± 0.02° |
γ | 90° |
Cell volume | 4296.7 ± 1 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0524 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/2016314.html
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Users of the data should acknowledge the original authors of the
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