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Information card for entry 4065699
Preview
Coordinates | 4065699.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [TpRu{=C=C(Ph)COPh}(PMe^i^Pr~2~)(NCCH~3~)][B(C~8~H~3~F~6~)~4~].C~6~H~5~F |
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Chemical name | Acetonitrile-(2-benzoyl-2-phenyl-ethenylidene)-{hydrogen-tris(pyrazolyl)borato- κ^3^-N,N',N''}-(diisopropyl-methyl-phosphino)-ruthenium (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate fluoro-benzene solvate |
Formula | C71 H57 B2 F25 N7 O P Ru |
Calculated formula | C71 H57 B2 F25 N7 O P Ru |
Title of publication | Isomerization of Internal Alkynones to Vinylidenes in Tris(pyrazolyl)borate Ruthenium Complexes. Solution and Solid-State Kinetics |
Authors of publication | de los Ríos, Isaac; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 7 |
Pages of publication | 1740 |
a | 12.659 ± 0.003 Å |
b | 16.205 ± 0.003 Å |
c | 19.6 ± 0.004 Å |
α | 108.86 ± 0.03° |
β | 105.85 ± 0.03° |
γ | 93.6 ± 0.03° |
Cell volume | 3609.4 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0578 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065699.html
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Users of the data should acknowledge the original authors of the
structural data.