Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7012390
Preview
Coordinates | 7012390.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 13 |
---|---|
Formula | C8 H7 I O2 Ru |
Calculated formula | C8 H7 I O2 Ru |
SMILES | [Ru]1234(I)([c]5([cH]1[cH]2[cH]3[cH]45)C)(C#[O])C#[O] |
Title of publication | Diphenylvinylphosphine (DPVP) complexes containing the (η5-MeC5H4)Ru(ii) moiety: synthesis, characterization and reactions |
Authors of publication | Duraczyńska, Dorota; Nelson, John H. |
Journal of publication | Dalton Transactions |
Year of publication | 2003 |
Journal issue | 3 |
Pages of publication | 449 - 457 |
a | 7.068 ± 0.0017 Å |
b | 7.538 ± 0.002 Å |
c | 10.2386 ± 0.0014 Å |
α | 92.931 ± 0.018° |
β | 96.106 ± 0.013° |
γ | 109.316 ± 0.019° |
Cell volume | 509.7 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0984 |
Residual factor for significantly intense reflections | 0.0845 |
Weighted residual factors for significantly intense reflections | 0.2023 |
Weighted residual factors for all reflections included in the refinement | 0.2185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/7012390.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.