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Information card for entry 1519719
Preview
Coordinates | 1519719.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H38 B F24 O P Si |
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Calculated formula | C46 H38 B F24 O P Si |
SMILES | [P+](O[Si](C)(C)c1ccccc1)(CC)(CC)CC.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds |
Authors of publication | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 7 |
Pages of publication | 4324 |
a | 16.929 ± 0.003 Å |
b | 18.161 ± 0.003 Å |
c | 16.113 ± 0.003 Å |
α | 90° |
β | 97.045 ± 0.004° |
γ | 90° |
Cell volume | 4916.5 ± 1.5 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.3038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71075 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/1519719.html
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