Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7213878
Preview
Coordinates | 7213878.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H22 Cl2 N2 O Ru |
---|---|
Calculated formula | C17 H22 Cl2 N2 O Ru |
SMILES | [Ru]12345(Cl)(Cl)([NH2]c6ccc(cc6)C(=O)N)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C(C)C)C |
Title of publication | Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands |
Authors of publication | Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 6 |
Pages of publication | 1001 |
a | 8.723 ± 0.009 Å |
b | 9.227 ± 0.009 Å |
c | 12.62 ± 0.01 Å |
α | 74.26 ± 0.01° |
β | 69.8 ± 0.01° |
γ | 89.74 ± 0.01° |
Cell volume | 913 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1761 |
Residual factor for significantly intense reflections | 0.1265 |
Weighted residual factors for significantly intense reflections | 0.3327 |
Weighted residual factors for all reflections included in the refinement | 0.3864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.5 |
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/7213878.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.