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Information card for entry 2234628
Preview
Coordinates | 2234628.cif |
---|---|
Structure factors | 2234628.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[5-chloro-2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine- κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II) |
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Formula | C24 H16 Cl2 Fe N8 S2 |
Calculated formula | C24 H16 Cl2 Fe N8 S2 |
SMILES | [Fe]12([n]3cc(ccc3N=[N]1c1ccccc1)Cl)([n]1cc(ccc1N=[N]2c1ccccc1)Cl)(N=C=S)N=C=S |
Title of publication | Bis[5-chloro-2-(phenyldiazenyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)iron(II) |
Authors of publication | Vittaya, Luksamee; Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit; Hansongnern, Kanidtha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m555 - m556 |
a | 9.5151 ± 0.0003 Å |
b | 23.7391 ± 0.0009 Å |
c | 12.155 ± 0.0004 Å |
α | 90° |
β | 96.209 ± 0.001° |
γ | 90° |
Cell volume | 2729.46 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0497 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/2234628.html
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Users of the data should acknowledge the original authors of the
structural data.