Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4101879
Preview
Coordinates | 4101879.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H24 Ru |
---|---|
Calculated formula | C18 H24 Ru |
SMILES | [Ru]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H]([C@H]([c]15[cH]6[cH]7[cH]8[cH]91)C(C)C)C(C)C |
Title of publication | Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes |
Authors of publication | David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 1988 - 1998 |
a | 8.0839 ± 0.0006 Å |
b | 10.4761 ± 0.0008 Å |
c | 8.6654 ± 0.0007 Å |
α | 90° |
β | 91.849 ± 0.005° |
γ | 90° |
Cell volume | 733.47 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.05 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.776 |
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/4101879.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.