Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7002275
Preview
Coordinates | 7002275.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H24 K N12 |
---|---|
Calculated formula | C36 H24 K N12 |
SMILES | [K]1234([n]5ccccc5c5[n]1c(c1[n]2cccc1)nc(n5)c1ncccc1)[n]1ccccc1c1[n]3c(c2[n]4cccc2)nc(n1)c1ncccc1 |
Title of publication | First reductive dimerization of a polycyclic azine |
Authors of publication | Berthet, Jean-Claude; Thuéry, Pierre; Baudin, Cécile; Boizot, Bruno; Ephritikhine, Michel |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 37 |
Pages of publication | 7613 - 7616 |
a | 17.7227 ± 0.0018 Å |
b | 10.9183 ± 0.0012 Å |
c | 16.0694 ± 0.0017 Å |
α | 90° |
β | 104.505 ± 0.006° |
γ | 90° |
Cell volume | 3010.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0959 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1237 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/7002275.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.