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Information card for entry 2229396
Preview
Coordinates | 2229396.cif |
---|---|
Structure factors | 2229396.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-propyldithiocarbamato- κ^2^<i>S</i>,<i>S</i>']bis(4-{[(pyridin-4- ylmethylidene)hydrazinylidene]methyl}pyridine-κ<i>N</i>^1^)cadmium |
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Formula | C36 H44 Cd N10 O2 S4 |
Calculated formula | C36 H44 Cd N10 O2 S4 |
SMILES | C1(N(CCO)CCC)=[S][Cd]2([n]3ccc(cc3)C=NN=Cc3ccncc3)(S1)([n]1ccc(cc1)C=NN=Cc1ccncc1)[S]=C(N(CCO)CCC)S2 |
Title of publication | Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-propyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(4-{[(pyridin-4-ylmethylidene)hydrazinylidene]methyl}pyridine-κ<i>N</i>^1^)cadmium |
Authors of publication | Broker, Grant A.; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 3 |
Pages of publication | m320 - m321 |
a | 8.532 ± 0.003 Å |
b | 10.951 ± 0.004 Å |
c | 11.184 ± 0.005 Å |
α | 79.59 ± 0.03° |
β | 88.06 ± 0.03° |
γ | 78.23 ± 0.02° |
Cell volume | 1006.2 ± 0.7 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.7107 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/2229396.html
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Users of the data should acknowledge the original authors of the
structural data.