Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224929
Preview
Coordinates | 7224929.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(phenazinium) tetrabromomercurate(II) dihydrate |
---|---|
Chemical name | bis(phenazinium) tetrabromomercurate(II) dihydrate |
Formula | C24 H22 Br4 Hg N4 O2 |
Calculated formula | C24 H22 Br4 Hg N4 O2 |
SMILES | c12ccccc1nc1ccccc1[nH+]2.c12ccccc1nc1ccccc1[nH+]2.O.O.Br[Hg](Br)([Br-])[Br-] |
Title of publication | Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations |
Authors of publication | Slabbert, C.; Rademeyer, M. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 24 |
Pages of publication | 4555 |
a | 16.5361 ± 0.0014 Å |
b | 13.2372 ± 0.0011 Å |
c | 12.7563 ± 0.0011 Å |
α | 90° |
β | 106.25 ± 0.003° |
γ | 90° |
Cell volume | 2680.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1426 |
Residual factor for significantly intense reflections | 0.1115 |
Weighted residual factors for significantly intense reflections | 0.18 |
Weighted residual factors for all reflections included in the refinement | 0.1901 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
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/7224929.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.