Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032580
Preview
Coordinates | 7032580.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H9 N3 |
---|---|
Calculated formula | C12 H9 N3 |
SMILES | n1ccccc1n1nc2ccccc2c1 |
Title of publication | Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry. |
Authors of publication | Hawes, Chris S.; Kruger, Paul E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 43 |
Pages of publication | 16450 - 16458 |
a | 5.6717 ± 0.0006 Å |
b | 11.2569 ± 0.0011 Å |
c | 14.8452 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 947.8 ± 0.17 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0494 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7032580.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.