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Information card for entry 7121280
Preview
| Coordinates | 7121280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | complex 2 |
|---|---|
| Formula | C27 H52 N6 Ni P2 |
| Calculated formula | C27 H52 N6 Ni P2 |
| SMILES | C12=N[P](C(C)(C)C)(C(C)(C)C)[Ni]3(N2C(=N[P]3(C(C)(C)C)C(C)(C)C)C(=CC1(CC)CC)CC)N=N#N |
| Title of publication | Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate. |
| Authors of publication | Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 32 |
| Pages of publication | 3940 - 3943 |
| a | 17.9904 ± 0.0008 Å |
| b | 11.7439 ± 0.0005 Å |
| c | 14.8246 ± 0.0006 Å |
| α | 90° |
| β | 94.373 ± 0.001° |
| γ | 90° |
| Cell volume | 3123 ± 0.2 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121280.cif |
| 228080 | 2019-11-17 | cif/ Updating files of 7121278, 7121279, 7121280, 7121281, 7121282, 7121283 Original log message: Adding full bibliography for 7121278--7121283.cif. |
7121280.cif |
| 206405 | 2018-02-14 | cif/ Adding structures of 7121278, 7121279, 7121280, 7121281, 7121282, 7121283 via cif-deposit CGI script. |
7121280.cif |
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Users of the data should acknowledge the original authors of the
structural data.