Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082917
Preview
Coordinates | 4082917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H54 O4 P2 Ru |
---|---|
Calculated formula | C30 H54 O4 P2 Ru |
Title of publication | Computational Discovery of Stable Transition-Metal Vinylidene Complexes |
Authors of publication | Pickup, Oliver J. S.; Khazal, Iman; Smith, Elizabeth J.; Whitwood, Adrian C.; Lynam, Jason M.; Bolaky, Keshan; King, Timothy C.; Rawe, Benjamin W.; Fey, Natalie |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 7 |
Pages of publication | 1751 |
a | 12.6749 ± 0.0007 Å |
b | 14.7788 ± 0.0006 Å |
c | 17.0117 ± 0.0007 Å |
α | 90° |
β | 90.298 ± 0.004° |
γ | 90° |
Cell volume | 3186.6 ± 0.3 Å3 |
Cell temperature | 110 ± 0.1 K |
Ambient diffraction temperature | 110 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1626 |
Weighted residual factors for all reflections included in the refinement | 0.1756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.7107 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/4082917.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.