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Information card for entry 2204549
Preview
Coordinates | 2204549.cif |
---|---|
Structure factors | 2204549.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ-N,N-bis(2-hydroxyethyl)dithiocarbamato]- 1:2κ^3^S,S':S';2:1κ^3^S,S':S'-bis{[N,N-bis(2- hydroxyethyl)dithiocarbamato-κ^2^S,S']cadmium(II)} |
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Formula | C20 H40 Cd2 N4 O8 S8 |
Calculated formula | C20 H40 Cd2 N4 O8 S8 |
SMILES | C1(N(CCO)CCO)=[S][Cd]23(S1)[S]1[Cd]4([S]=C(N(CCO)CCO)S4)([S]=C1N(CCO)CCO)[S]3C(N(CCO)CCO)=[S]2 |
Title of publication | Bis[μ-<i>N,N</i>-bis(2-hydroxyethyl)dithiocarbamato]-1:2κ^3^<i>S,S</i>':<i>S</i>';2:1κ^3^<i>S,S</i>':<i>S</i>'-bis{[<i>N,N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S,S</i>']cadmium(II)} |
Authors of publication | Zhong, Yun; Zhang,Weiguang; Fan, Jun; Tan, Mingyu; Chian, Sing Lai; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 11 |
Pages of publication | m1633 - m1635 |
a | 8.1588 ± 0.001 Å |
b | 8.304 ± 0.001 Å |
c | 25.008 ± 0.003 Å |
α | 90° |
β | 93.956 ± 0.002° |
γ | 90° |
Cell volume | 1690.3 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
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 | 0.045 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
Diffraction radiation wavelength | 0.71069 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/2204549.html
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