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Information card for entry 4080170
Preview
| Coordinates | 4080170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Me3NN]Ni(N3)(pic) |
|---|---|
| Formula | C29 H36 N6 Ni |
| Calculated formula | C29 H36 N6 Ni |
| SMILES | [Ni]1(N(c2c(cc(cc2C)C)C)C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)(N=N#N)[n]1ccccc1C |
| Title of publication | β-Diketiminato Nickel Imides in Catalytic Nitrene Transfer to Isocyanides |
| Authors of publication | Wiese, Stefan; Aguila, Mae Joanne B.; Kogut, Elzbieta; Warren, Timothy H. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 8 |
| Pages of publication | 2300 |
| a | 11.2225 ± 0.0012 Å |
| b | 11.4744 ± 0.0012 Å |
| c | 12.0113 ± 0.0013 Å |
| α | 89.293 ± 0.001° |
| β | 65.114 ± 0.001° |
| γ | 79.469 ± 0.001° |
| Cell volume | 1375.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080170.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4080170.cif |
| 85864 | 2013-05-07 | cif/ Adding structures of 4080168, 4080169, 4080170, 4080171 via cif-deposit CGI script. |
4080170.cif |
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Users of the data should acknowledge the original authors of the
structural data.