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Information card for entry 2241474
Preview
Coordinates | 2241474.cif |
---|---|
Structure factors | 2241474.hkl |
Original IUCr paper | HTML |
Chemical name | (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc |
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Formula | C22 H32 N4 O2 S4 Zn |
Calculated formula | C22 H32 N4 O2 S4 Zn |
SMILES | C1(N(CCO)C(C)C)=[S][Zn]23([n]4ccccc4c4[n]2cccc4)(S1)[S]=C(N(CCO)C(C)C)S3 |
Title of publication | Crystal structures of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate and (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc |
Authors of publication | Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2016 |
Journal volume | 72 |
Journal issue | 2 |
Pages of publication | 203 - 208 |
a | 19.4997 ± 0.0011 Å |
b | 9.0027 ± 0.0005 Å |
c | 15.5352 ± 0.0008 Å |
α | 90° |
β | 98.031 ± 0.005° |
γ | 90° |
Cell volume | 2700.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0395 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0674 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/2241474.html
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