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Information card for entry 4063515
Preview
Coordinates | 4063515.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17.5 H22 Cl2 F6 N O P Ru |
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Calculated formula | C17 H21 Cl F6 N O P Ru |
SMILES | [Ru]123456(Cl)([O]=C(c7[n]1cccc7)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Mechanistic Study of Acetate-Assisted C‒H Activation of 2-Substituted Pyridines with [MCl2Cp*]2(M = Rh, Ir) and [RuCl2(p-cymene)]2 |
Authors of publication | Boutadla, Youcef; Al-Duaij, Omar; Davies, David L.; Griffith, Gerald A.; Singh, Kuldip |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 433 - 440 |
a | 8.2642 ± 0.0013 Å |
b | 11.6003 ± 0.0018 Å |
c | 12.534 ± 0.002 Å |
α | 108.431 ± 0.003° |
β | 101.315 ± 0.003° |
γ | 102.736 ± 0.003° |
Cell volume | 1065 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0488 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
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/4063515.html
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