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Information card for entry 8104768
Preview
| Coordinates | 8104768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | aqua-<i>κO</i>-bis(<i>trans</i>-<i>η</i>^1^-trifluoroacetato-<i>κO</i>)-\ tris(3-bromopyridine-<i>κN</i>)-cadmium(II) |
|---|---|
| Formula | C19 H14 Br3 Cd F6 N3 O5 |
| Calculated formula | C19 H14 Br3 Cd F6 N3 O5 |
| Title of publication | Crystal structure of (OC‐6‐13)‐aqua‐tris (3‐bromopyridine‐κ1 N)‐bis(trifluoroacetato‐κ1 O)cadmium(II) C19H14Br3CdF6N3O5 |
| Authors of publication | Zhang, Lan; Wang, Lu; Ding, Wu-Xiu; Wang, Qiang; Chen, Meng-Juan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 565 - 567 |
| a | 9.2591 ± 0.0004 Å |
| b | 9.6573 ± 0.0005 Å |
| c | 16.9256 ± 0.0009 Å |
| α | 102.707 ± 0.002° |
| β | 96.854 ± 0.002° |
| γ | 112.55 ± 0.002° |
| Cell volume | 1328.2 ± 0.12 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273728 (current) | 2022-03-16 | cif/ Adding structures of 8104768 via cif-deposit CGI script. |
8104768.cif |
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Users of the data should acknowledge the original authors of the
structural data.