Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4111369
Preview
Coordinates | 4111369.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H28 P2 Ru |
---|---|
Calculated formula | C18 H28 P2 Ru |
SMILES | [Ru]123456([P](CC[P]1(C)C)(C)C)[cH]1[c]5([cH]4[cH]3[cH]21)CCC1=CC=CC61 |
Title of publication | Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes |
Authors of publication | David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 4166 - 4176 |
a | 8.1075 ± 0.0003 Å |
b | 13.7698 ± 0.0005 Å |
c | 16.3172 ± 0.0004 Å |
α | 90° |
β | 100.619 ± 0.002° |
γ | 90° |
Cell volume | 1790.43 ± 0.1 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0472 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1005 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/4111369.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.