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Information card for entry 4065259
Preview
Coordinates | 4065259.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 Cl2 N2 O Ru S |
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Calculated formula | C32 H40 Cl2 N2 O Ru S |
SMILES | [Ru]12345(Cl)(Cl)(SC(=O)C6=[N+](CCN6c6c(cc(cc6C)C)C)c6c(cc(cc6C)C)C)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C |
Title of publication | Synthesis and Catalytic Evaluation of Ruthenium‒Arene Complexes Bearing Imidazol(in)ium-2-thiocarboxylate Ligands |
Authors of publication | Hans, Morgan; Willem, Quentin; Wouters, Johan; Demonceau, Albert; Delaude, Lionel |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 22 |
Pages of publication | 6133 |
a | 12.098 ± 0.002 Å |
b | 17.026 ± 0.002 Å |
c | 17.536 ± 0.003 Å |
α | 90° |
β | 119.973 ± 0.011° |
γ | 90° |
Cell volume | 3129 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1211 |
Residual factor for significantly intense reflections | 0.0786 |
Weighted residual factors for significantly intense reflections | 0.2117 |
Weighted residual factors for all reflections included in the refinement | 0.309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
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/4065259.html
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