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Information card for entry 2204052
Preview
Coordinates | 2204052.cif |
---|---|
Structure factors | 2204052.hkl |
Original IUCr paper | HTML |
Chemical name | 2-[(ethylaminothioylhydrazono)(2-pyridyl)methyl]pyridinium tetrachlorodiphenylstannate(IV) |
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Formula | C40 H42 Cl4 N10 S2 Sn |
Calculated formula | C40 H42 Cl4 N10 S2 Sn |
SMILES | c1(ccccc1)[Sn](Cl)(c1ccccc1)(Cl)(Cl)Cl.C(=N\NC(=S)NCC)(/c1cccc[nH+]1)c1ncccc1.C(=N\NC(=S)NCC)(c1cccc[nH+]1)\c1ncccc1 |
Title of publication | The tetrachlorodiphenylstannate(IV) salt of protonated di-2-pyridyl ketone <i>N</i>^4^-ethylthiosemicarbazone |
Authors of publication | Venkatraman, Ramaiyer; Ray, Paresh Chandra; Fronczek, Frank R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 8 |
Pages of publication | m1035 - m1037 |
a | 7.4878 ± 0.001 Å |
b | 12.009 ± 0.002 Å |
c | 13.585 ± 0.002 Å |
α | 110.872 ± 0.009° |
β | 102.803 ± 0.007° |
γ | 100.404 ± 0.007° |
Cell volume | 1066.9 ± 0.3 Å3 |
Cell temperature | 102 K |
Ambient diffraction temperature | 102 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.038 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.063 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2204052.html
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