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Information card for entry 7245845
Preview
| Coordinates | 7245845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 Br2 Cl2 N2 Ni O2 |
|---|---|
| Calculated formula | C30 H24 Br2 Cl2 N2 Ni O2 |
| Title of publication | Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal |
| Authors of publication | Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 3 |
| Pages of publication | 365 - 377 |
| a | 10.0967 ± 0.0001 Å |
| b | 10.85 ± 0.0001 Å |
| c | 13.0172 ± 0.0002 Å |
| α | 90° |
| β | 107.314 ± 0.001° |
| γ | 90° |
| Cell volume | 1361.41 ± 0.03 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0141 |
| Residual factor for significantly intense reflections | 0.0136 |
| Weighted residual factors for significantly intense reflections | 0.0325 |
| Weighted residual factors for all reflections included in the refinement | 0.0327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281463 (current) | 2023-03-04 | cif/ Updating files of 7245842, 7245843, 7245844, 7245845, 7245846, 7245847 Original log message: Adding full bibliography for 7245842--7245847.cif. |
7245845.cif |
| 279334 | 2022-11-17 | cif/ Adding structures of 7245842, 7245843, 7245844, 7245845, 7245846, 7245847 via cif-deposit CGI script. |
7245845.cif |
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Users of the data should acknowledge the original authors of the
structural data.