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Information card for entry 2233975
Preview
Coordinates | 2233975.cif |
---|---|
Structure factors | 2233975.hkl |
Original IUCr paper | HTML |
Chemical name | Trimethylsulfonium 1-amino-6-fluoro-2,3,4,5,7,8,9,10,11,12-decaiodo- 1-carba-<i>closo</i>-dodecaborate |
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Formula | C4 H11 B11 F I10 N S |
Calculated formula | C4 H11 B11 F I10 N S |
SMILES | [C]1234(N)[B]567(I)[B]891(I)[B]1%102(I)[B]2%113(I)[B]345(F)[B]45%11([B]%11%102([B]291([B]168(I)[B]734(I)[B]5%1121I)I)I)I.[S+](C)(C)C |
Title of publication | Trimethylsulfonium 1-amino-6-fluoro-2,3,4,5,7,8,9,10,11,12-decaiodo-1-carba-<i>closo</i>-dodecaborate |
Authors of publication | Finze, Maik; Reiss, Guido J. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | o640 |
a | 10.0672 ± 0.0001 Å |
b | 16.7057 ± 0.0002 Å |
c | 17.5574 ± 0.0002 Å |
α | 90° |
β | 93.175 ± 0.001° |
γ | 90° |
Cell volume | 2948.26 ± 0.06 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0256 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0518 |
Weighted residual factors for all reflections included in the refinement | 0.0522 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.312 |
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/2233975.html
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Users of the data should acknowledge the original authors of the
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