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Information card for entry 4067660
Preview
Coordinates | 4067660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H15 F20 Os P S4 |
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Calculated formula | C42 H15 F20 Os P S4 |
SMILES | [Os](F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1c(Sc2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)Sc1c(F)c(F)c(F)c(F)c1F |
Title of publication | Carbon−Fluorine Bond Activation in Thermolysis Reactions of the Osmium(IV) Perfluorothiolate Compounds [Os(SC6F5)4(P(C6H4X-4)3)] (X = CF3, Cl, F, H, CH3, and OCH3) |
Authors of publication | Mendoza, Consuelo; Bernès, Sylvain; Torrens, Hugo; Arroyo, Maribel |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 12 |
Pages of publication | 2646 |
a | 11.457 ± 0.0011 Å |
b | 12.0914 ± 0.0011 Å |
c | 18.4994 ± 0.0016 Å |
α | 84.886 ± 0.005° |
β | 73.213 ± 0.006° |
γ | 64.074 ± 0.006° |
Cell volume | 2204.6 ± 0.4 Å3 |
Cell temperature | 296 ± 1 K |
Ambient diffraction temperature | 296 ± 1 K |
Cell measurement pressure | 101 ± 2 kPa |
Ambient diffracton pressure | 101 ± 2 kPa |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0638 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.062 |
Weighted residual factors for all reflections included in the refinement | 0.0684 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
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/4067660.html
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Users of the data should acknowledge the original authors of the
structural data.