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Information card for entry 2230629
Preview
Coordinates | 2230629.cif |
---|---|
Structure factors | 2230629.hkl |
Original IUCr paper | HTML |
Chemical name | Dichloridobis{<i>N</i>,<i>N</i>-diethyl-4-[(pyridin-2- yl-κ<i>N</i>)diazenyl]aniline}zinc |
---|---|
Formula | C30 H36 Cl2 N8 Zn |
Calculated formula | C30 H36 Cl2 N8 Zn |
SMILES | [Zn](Cl)(Cl)([n]1ccccc1N=Nc1ccc(N(CC)CC)cc1)[n]1ccccc1N=Nc1ccc(N(CC)CC)cc1 |
Title of publication | Dichloridobis{<i>N</i>,<i>N</i>-diethyl-4-[(pyridin-2-yl-κ<i>N</i>)diazenyl]aniline}zinc |
Authors of publication | Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit; Tantirungrotechai, Yuthana; Kwanplod, Kwanchanok |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m955 - m956 |
a | 13.4058 ± 0.0006 Å |
b | 13.8797 ± 0.0006 Å |
c | 16.8157 ± 0.0008 Å |
α | 90° |
β | 100.562 ± 0.001° |
γ | 90° |
Cell volume | 3075.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0451 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/2230629.html
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Users of the data should acknowledge the original authors of the
structural data.