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Information card for entry 4349018
Preview
| Coordinates | 4349018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dr Cho K1 |
|---|---|
| Formula | C35 H48 B2 N4 Ni |
| Calculated formula | C35 H48 B2 N4 Ni |
| SMILES | [Ni]123([N]4(CC[N]2(C)CC[N]1(CC4)C)C)([N]#CC)[H][BH2][H]3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A high-spin nickel(ii) borohydride complex in dehalogenation |
| Authors of publication | Tak, Hyeonwoo; Lee, Hyunjoo; Kang, Joongoo; Cho, Jaeheung |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | 157 |
| a | 20.1159 ± 0.0006 Å |
| b | 15.8862 ± 0.0005 Å |
| c | 20.4047 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6520.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233545 (current) | 2019-11-23 | cif/ Adding structures of 4349018, 4349019 via cif-deposit CGI script. |
4349018.cif |
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Users of the data should acknowledge the original authors of the
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