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Information card for entry 4079976
Preview
Coordinates | 4079976.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Chlorido(η^6^-p-cymene)(tfnb-κ^2^O,O)ruthenium(II) |
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Chemical name | Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedionato-κ^2^O,O)ruthenium(II) |
Formula | C24 H22 Cl F3 O2 Ru |
Calculated formula | C24 H22 Cl F3 O2 Ru |
SMILES | [Ru]123456(Cl)(OC(=CC(=[O]1)c1cc7c(cc1)cccc7)C(F)(F)F)[c]1([cH]3[cH]4[c]5(C(C)C)[cH]6[cH]21)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 | 9.917 ± 0.002 Å |
b | 16.127 ± 0.003 Å |
c | 13.773 ± 0.003 Å |
α | 90° |
β | 95.395 ± 0.001° |
γ | 90° |
Cell volume | 2193 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0359 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0695 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/4079976.html
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Users of the data should acknowledge the original authors of the
structural data.