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Information card for entry 4070573
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Coordinates | 4070573.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [CpRu(Car)](PF6) |
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Chemical name | [CpRu(Car)](PF6) |
Formula | C17 H14 F6 N P Ru |
Calculated formula | C17 H14 F6 N P Ru |
SMILES | [Ru]123456789([cH]%10[cH]1[cH]2[cH]3[c]18[c]9%10c2ccccc2N1)[cH]1[cH]4[cH]5[cH]6[cH]71.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Arene Binding Affinities in [CpRu(η6-arene)]+Complexes: Models for the Adsorption of Arenes on Hydrodesulfurization Catalysts |
Authors of publication | Choi, Moon-Gun; Ho, Teh C.; Angelici, Robert J. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 6 |
Pages of publication | 1098 |
a | 9.7862 ± 0.0005 Å |
b | 16.7367 ± 0.0008 Å |
c | 11.0019 ± 0.0005 Å |
α | 90° |
β | 112.949 ± 0.001° |
γ | 90° |
Cell volume | 1659.36 ± 0.14 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0581 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.1689 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/4070573.html
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Users of the data should acknowledge the original authors of the
structural data.