Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7206910
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7206910.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H7 Cl O2 Ru |
---|---|
Calculated formula | C8 H7 Cl O2 Ru |
SMILES | [Ru]1234(C#[O])(C#[O])(Cl)[c]5([cH]4[cH]3[cH]2[cH]15)C |
Title of publication | Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow |
Authors of publication | Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A. |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 812 |
a | 8.4488 ± 0.0013 Å |
b | 9.9193 ± 0.0015 Å |
c | 11.619 ± 0.002 Å |
α | 90° |
β | 107.559 ± 0.002° |
γ | 90° |
Cell volume | 928.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.0208 |
Residual factor for significantly intense reflections | 0.0187 |
Weighted residual factors for significantly intense reflections | 0.0468 |
Weighted residual factors for all reflections included in the refinement | 0.0476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/7206910.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.