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Information card for entry 4105223
Preview
Coordinates | 4105223.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 F6 N4 O6 S2 Te |
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Calculated formula | C27 H26 F6 N4 O6 S2 Te |
SMILES | [Te]12[n]3c(cccc3C=[N]1c1c(cccc1C)C)C=[N]2c1c(cccc1C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].C(#N)C |
Title of publication | Remarkably Stable Chalcogen(II) Dications |
Authors of publication | Caleb D. Martin; Christine M. Le; Paul J. Ragogna |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15126 - 15127 |
a | 11.995 ± 0.002 Å |
b | 8.2243 ± 0.0016 Å |
c | 16.523 ± 0.003 Å |
α | 90° |
β | 100.76 ± 0.03° |
γ | 90° |
Cell volume | 1601.3 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0988 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4105223.html
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