Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067662
Preview
Coordinates | 4067662.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H4 Cl F19 Os S4 |
---|---|
Calculated formula | C30 H4 Cl F19 Os S4 |
SMILES | [Os]1(Sc2c(F)c(F)c(F)c(F)c2[S]1c1c(F)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)c1ccc(Cl)cc1 |
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 | 10.7595 ± 0.0018 Å |
b | 12.3939 ± 0.0012 Å |
c | 13.8046 ± 0.0016 Å |
α | 72.201 ± 0.006° |
β | 79.379 ± 0.011° |
γ | 82.299 ± 0.01° |
Cell volume | 1716.8 ± 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 | 0.0428 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4067662.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.