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Information card for entry 7223735
Preview
| Coordinates | 7223735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 Br4 Hg2 N6 |
|---|---|
| Calculated formula | C26 H20 Br4 Hg2 N6 |
| Title of publication | Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu) |
| Authors of publication | Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1009 |
| a | 8.7552 ± 0.0008 Å |
| b | 14.1329 ± 0.0014 Å |
| c | 23.646 ± 0.002 Å |
| α | 90° |
| β | 96.847 ± 0.005° |
| γ | 90° |
| Cell volume | 2905 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175960 (current) | 2016-02-05 | cif/ Updating files of 7223734, 7223735, 7223736, 7223737, 7223738, 7223739, 7223740, 7223741 Original log message: Adding full bibliography for 7223734--7223741.cif. |
7223735.cif |
| 173543 | 2016-01-06 | cif/ Adding structures of 7223734, 7223735, 7223736, 7223737, 7223738, 7223739, 7223740, 7223741 via cif-deposit CGI script. |
7223735.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.