Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7217303
Preview
Coordinates | 7217303.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 Cl2 N O2 Ru |
---|---|
Calculated formula | C21 H29 Cl2 N O2 Ru |
SMILES | [Ru]12345(Cl)(Cl)([NH2]c6ccc(cc6)C(=O)OCCCC)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C(C)C)C |
Title of publication | Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes |
Authors of publication | Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 38 |
Pages of publication | 9125 |
a | 7.8252 ± 0.0017 Å |
b | 9.227 ± 0.002 Å |
c | 17.196 ± 0.004 Å |
α | 77.288 ± 0.004° |
β | 80.06 ± 0.004° |
γ | 69.45 ± 0.004° |
Cell volume | 1127.9 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0703 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1596 |
Weighted residual factors for all reflections included in the refinement | 0.1677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.286 |
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/7217303.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.