Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241577
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7241577.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4,4-bipyridine oxalic acid |
---|---|
Formula | C12 H10 N2 O4 |
Calculated formula | C12 H10 N2 O4 |
SMILES | OC(=O)C(=O)O.n1ccc(cc1)c1ccncc1 |
Title of publication | Crystallisation of organic salts by sublimation: salt formation from the gas phase |
Authors of publication | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 45 |
Pages of publication | 7826 - 7831 |
a | 8.7731 ± 0.0005 Å |
b | 9.8652 ± 0.0005 Å |
c | 13.9929 ± 0.0007 Å |
α | 73.741 ± 0.002° |
β | 72.89 ± 0.002° |
γ | 72.483 ± 0.002° |
Cell volume | 1079.17 ± 0.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1641 |
Residual factor for significantly intense reflections | 0.0936 |
Weighted residual factors for significantly intense reflections | 0.237 |
Weighted residual factors for all reflections included in the refinement | 0.293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7241577.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.