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Information card for entry 4079975
Preview
Coordinates | 4079975.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Chlorido(η^6^-p-cymene)(tfpb-κ^2^O,O)ruthenium(II) |
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Chemical name | Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-phenyl-1,3-butanedionato-κ^2^O,O)ruthenium(II) |
Formula | C20 H20 Cl F3 O2 Ru |
Calculated formula | C20 H20 Cl F3 O2 Ru |
SMILES | [Ru]123456(Cl)(OC(=CC(=[O]1)C(F)(F)F)c1ccccc1)[c]1([cH]3[cH]2[c]6([cH]5[cH]41)C)C(C)C |
Title of publication | Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation |
Authors of publication | Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 2 |
Pages of publication | 609 |
a | 7.6107 ± 0.0002 Å |
b | 10.8013 ± 0.0003 Å |
c | 11.945 ± 0.0003 Å |
α | 94.4899 ± 0.0016° |
β | 92.0898 ± 0.0015° |
γ | 103.319 ± 0.0016° |
Cell volume | 951.09 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4079975.html
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Users of the data should acknowledge the original authors of the
structural data.