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Information card for entry 4513186
Preview
Coordinates | 4513186.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H47 Cl F6 N2 P2 Ru |
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Calculated formula | C49 H47 Cl F6 N2 P2 Ru |
SMILES | [Ru]12345(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)(=C6N(c7ccccc7N6Cc6ccccc6)Cc6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Tunable Dehydrogenative Amidation versus Amination Using a Single Ruthenium-NHC Catalyst |
Authors of publication | Xie, Xiaoke; Huynh, Han Vinh |
Journal of publication | ACS Catalysis |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 7 |
Pages of publication | 4143 |
a | 11.185 ± 0.0012 Å |
b | 12.2337 ± 0.0012 Å |
c | 15.712 ± 0.0016 Å |
α | 87.763 ± 0.002° |
β | 85.343 ± 0.002° |
γ | 75.988 ± 0.002° |
Cell volume | 2078.7 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0814 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4513186.html
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