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Information card for entry 7224939
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7224939.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(phenazine) diaqua-dibromo-zinc(II) monohydrate |
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Chemical name | bis(phenazine) diaqua-dibromo-zinc(II) monohydrate |
Formula | C24 H22 Br2 N4 O3 Zn |
Calculated formula | C24 H22 Br2 N4 O3 Zn |
SMILES | [OH2][Zn]([OH2])(Br)Br.O.c12ccccc1nc1ccccc1n2.c12ccccc1nc1ccccc1n2 |
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 | 6.917 ± 0.0007 Å |
b | 16.4068 ± 0.0015 Å |
c | 21.562 ± 0.002 Å |
α | 90° |
β | 92.213 ± 0.002° |
γ | 90° |
Cell volume | 2445.2 ± 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 | 0.0551 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1189 |
Weighted residual factors for all reflections included in the refinement | 0.1246 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7224939.html
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Users of the data should acknowledge the original authors of the
structural data.