Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4069846
Preview
Coordinates | 4069846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H38 F6 O P2 Ru Si |
---|---|
Calculated formula | C38 H38 F6 O P2 Ru Si |
SMILES | [Ru]1234567([CH]([P+](c8ccccc8)(c8ccccc8)c8ccccc8)=[C]81[C]2(=[CH]3[Si](C)(C)C)c1ccccc1C8(O)C)[cH]1[cH]7[cH]6[cH]5[cH]41.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Ruthenium Allenylidene and Allylcarbene Complexes from 1,6-Diyne |
Authors of publication | Lui, Ming-Chung; Chung, Chia-Pei; Chang, Wei-Chen; Lin, Ying-Chih; Wang, Yu; Liu, Yi-Hong |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 17 |
Pages of publication | 5204 |
a | 14.8263 ± 0.0003 Å |
b | 14.1439 ± 0.0002 Å |
c | 19.0298 ± 0.0004 Å |
α | 90° |
β | 110.636 ± 0.002° |
γ | 90° |
Cell volume | 3734.54 ± 0.13 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0887 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.1037 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
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/4069846.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.