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Information card for entry 2217259
Preview
Coordinates | 2217259.cif |
---|---|
Structure factors | 2217259.hkl |
Original IUCr paper | HTML |
Chemical name | bis({6-ethylamino-10-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthen-3- ylidene}ethanaminium) hexachloridotin(IV) acetonitrile disolvate |
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Formula | C58 H64 Cl6 N6 O6 Sn |
Calculated formula | C58 H64 Cl6 N6 O6 Sn |
SMILES | c12Oc3c([C+](c2cc(c(c1)NCC)C)c1c(C(=O)OC)cccc1)cc(c(NCC)c3)C.N#CC.Cl[Sn](Cl)(Cl)([Cl-])([Cl-])Cl.c12Oc3c([C+](c2cc(c(c1)NCC)C)c1c(cccc1)C(=O)OC)cc(c(NCC)c3)C.N#CC |
Title of publication | Rhodamine 6G hexachloridostannate(IV) acetonitrile disolvate |
Authors of publication | Venkatraman, Ramaiyer; Sitole, Lungile; Fronczek, Frank R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 1 |
Pages of publication | m199 - m199 |
a | 9.7871 ± 0.001 Å |
b | 11.7827 ± 0.0011 Å |
c | 13.2893 ± 0.0012 Å |
α | 80.583 ± 0.004° |
β | 77.309 ± 0.004° |
γ | 82.467 ± 0.004° |
Cell volume | 1467.7 ± 0.2 Å3 |
Cell temperature | 90 ± 0.5 K |
Ambient diffraction temperature | 90 ± 0.5 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 | 0.036 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/2217259.html
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Users of the data should acknowledge the original authors of the
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