Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4328504
Preview
Coordinates | 4328504.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H94 Cl6 N6 Se3 |
---|---|
Calculated formula | C86 H94 Cl6 N6 Se3 |
SMILES | C1(=[N](c2c(cccc2C(C)C)C(C)C)[Se]2(Cl)[n]3c1cccc3C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1.Cl[Se](Cl)(Cl)Cl.C1(=[N](c2c(cccc2C(C)C)C(C)C)[Se]2(Cl)[n]3c1cccc3C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1 |
Title of publication | Reactions of Diiminopyridine Ligands with Chalcogen Halides |
Authors of publication | Caleb D. Martin; Paul J. Ragogna |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 2947 - 2953 |
a | 12.7211 ± 0.0012 Å |
b | 20.3795 ± 0.0019 Å |
c | 17.9128 ± 0.0017 Å |
α | 90° |
β | 95.894 ± 0.002° |
γ | 90° |
Cell volume | 4619.3 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1305 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1553 |
Weighted residual factors for all reflections included in the refinement | 0.1768 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
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/4328504.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.