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Information card for entry 4071119
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Coordinates | 4071119.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Rh(S(O)NN)(CO)][PF6] |
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Chemical name | [Rh(S(O)NN)(CO)][PF6] 4 |
Formula | C16 H26 F6 N2 O2 P Rh S |
Calculated formula | C16 H26 F6 N2 O2 P Rh S |
SMILES | [Rh]12([n]3c(C[S]1(=O)C(C)(C)C)cccc3C[N]2(CC)CC)C#[O].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium |
Authors of publication | Schaub, Thomas; Radius, Udo; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 8 |
Pages of publication | 1892 |
a | 9.4642 ± 0.0002 Å |
b | 16.1506 ± 0.0005 Å |
c | 14.466 ± 0.0004 Å |
α | 90° |
β | 106.127 ± 0.0014° |
γ | 90° |
Cell volume | 2124.15 ± 0.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/4071119.html
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