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Information card for entry 7224939
Preview
| Coordinates | 7224939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(phenazine) diaqua-dibromo-zinc(II) monohydrate |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185224 (current) | 2016-08-07 | cif/ Updating files of 7224924, 7224925, 7224926, 7224927, 7224928, 7224929, 7224930, 7224931, 7224932, 7224933, 7224934, 7224935, 7224936, 7224937, 7224938, 7224939 Original log message: Adding full bibliography for 7224924--7224939.cif. |
7224939.cif |
| 182132 | 2016-04-15 | cif/ Adding structures of 7224924, 7224925, 7224926, 7224927, 7224928, 7224929, 7224930, 7224931, 7224932, 7224933, 7224934, 7224935, 7224936, 7224937, 7224938, 7224939 via cif-deposit CGI script. |
7224939.cif |
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Users of the data should acknowledge the original authors of the
structural data.