Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550041
Preview
Coordinates | 1550041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H42 Cl10 N4 |
---|---|
Calculated formula | C33 H42 Cl10 N4 |
SMILES | [Cl-].ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.N(=C(\Nc1ccc(cc1)C)c1n(C2CCCCC2)cc[n+]1C1CCCCC1)/c1ccc(cc1)C |
Title of publication | Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. |
Authors of publication | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 89 |
Pages of publication | 12586 - 12589 |
a | 16.0787 ± 0.0016 Å |
b | 21.553 ± 0.003 Å |
c | 24.176 ± 0.003 Å |
α | 90° |
β | 94.498 ± 0.009° |
γ | 90° |
Cell volume | 8352.2 ± 1.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0677 |
Weighted residual factors for significantly intense reflections | 0.1865 |
Weighted residual factors for all reflections included in the refinement | 0.1988 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550041.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.