Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2217973
Preview
Coordinates | 2217973.cif |
---|---|
Structure factors | 2217973.hkl |
Original IUCr paper | HTML |
Common name | Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato- κ^2^<i>N</i>',<i>S</i>]zinc(II) |
---|---|
Chemical name | Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato- κ^2^<i>N</i>',<i>S</i>]zinc(II) |
Formula | C34 H30 N4 S4 Zn |
Calculated formula | C34 H30 N4 S4 Zn |
SMILES | c1ccccc1/C=C/C=[N]1[Zn]2([N](=C/C=C/c3ccccc3)N=C(S2)SCc2ccccc2)SC(=N1)SCc1ccccc1 |
Title of publication | Bis[benzyl <i>N</i>'-(3-phenylprop-2-enylidene)hydrazinecarbodithioato-κ^2^<i>N</i>',<i>S</i>]zinc(II) |
Authors of publication | Fun, Hoong-Kun; Chantrapromma, Suchada; Tarafder, M. T. H.; Islam, M. Toihidul; Zakaria, C. M.; Islam, M. A. A. A. A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 4 |
Pages of publication | m518 - m519 |
a | 36.0897 ± 0.0004 Å |
b | 9.931 ± 0.0001 Å |
c | 8.7633 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3140.83 ± 0.06 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0353 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
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/2217973.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.