Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089655
Preview
Coordinates | 4089655.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 O18 Ru4 |
---|---|
Calculated formula | C28 H36 O18 Ru4 |
SMILES | C(#[O])[Ru]12(C#[O])([Ru]3(C#[O])(C#[O])([O](C(CC)=[O]1)[Ru]14(C#[O])(C#[O])[O]3C(CC)=[O][Ru]4(C#[O])(C#[O])([O]=C(CC)O1)[O]1CCCC1)[O]=C(CC)O2)[O]1CCCC1 |
Title of publication | [Ru4(CO)8(μ-OOCCH2CH3)4(THF)2] and [Ru3(μ3-OH)(CO)6(μ-OOCtBu)4(OOCtBu)]: Novel Multinuclear Ruthenium Carbonyl Carboxylates |
Authors of publication | Zimmermann, Teresa K.; Ziriakus, Jennifer; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 10 |
Pages of publication | 2667 |
a | 7.4375 ± 0.0002 Å |
b | 9.1704 ± 0.0003 Å |
c | 13.3918 ± 0.0004 Å |
α | 104.096 ± 0.0011° |
β | 90.4828 ± 0.0011° |
γ | 94.3415 ± 0.0011° |
Cell volume | 883 ± 0.05 Å3 |
Cell temperature | 123 ± 1 K |
Ambient diffraction temperature | 123 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0165 |
Residual factor for significantly intense reflections | 0.0162 |
Weighted residual factors for significantly intense reflections | 0.0399 |
Weighted residual factors for all reflections included in the refinement | 0.0401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
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/4089655.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.