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Information card for entry 4088072
Preview
Coordinates | 4088072.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H38 B F20 N P2 Ru |
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Calculated formula | C70 H38 B F20 N P2 Ru |
SMILES | [Ru]1234([P](c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([N]#Cc5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Inner- and Outer-Sphere Roles of Ruthenium Phosphido Complexes in the Hydrophosphination of Alkenes |
Authors of publication | Belli, Roman G.; Burton, Krista M. E.; Rufh, Stephanie A.; McDonald, Robert; Rosenberg, Lisa |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 23 |
Pages of publication | 5637 |
a | 13.0253 ± 0.0005 Å |
b | 13.4007 ± 0.0005 Å |
c | 18.4817 ± 0.0007 Å |
α | 100.063 ± 0.0005° |
β | 105.083 ± 0.0005° |
γ | 94.3895 ± 0.0005° |
Cell volume | 3041.5 ± 0.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0443 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4088072.html
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Users of the data should acknowledge the original authors of the
structural data.