Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7103911
Preview
Coordinates | 7103911.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H42 Cl2 Fe2 O6 Ru2 |
---|---|
Calculated formula | C43 H42 Cl2 Fe2 O6 Ru2 |
SMILES | [Ru]12345([Ru]678([Fe]9%10%11%12([C]6#[C]2[Fe]26%13%141(C#[O])(C3=O)[c]1([c]2([c]6([c]%13([c]%141C)C)C)C)C)(C#[O])(C7=O)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)(C#[O])[C]4(=[C]58c1ccccc1)c1ccccc1)C#[O].ClCCl |
Title of publication | μ4-Dicarbyne complex with a dimetallacyclobutatriene core: A new binding mode of C2 species |
Authors of publication | Terada, Masako; Higashihara, Gou; Inagaki, Akiko; Akita, Munetaka |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 24 |
Pages of publication | 2984 - 2985 |
a | 10.7259 ± 0.0003 Å |
b | 19.3299 ± 0.0007 Å |
c | 20.3635 ± 0.0006 Å |
α | 90° |
β | 97.34 ± 0.002° |
γ | 90° |
Cell volume | 4187.4 ± 0.2 Å3 |
Cell temperature | 213.2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for all reflections included in the refinement | 0.1307 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
Diffraction radiation wavelength | 0.7107 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/7103911.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.