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Information card for entry 7118043
Preview
| Coordinates | 7118043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H42 N6 P4 |
|---|---|
| Calculated formula | C18 H42 N6 P4 |
| Title of publication | Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2. |
| Authors of publication | Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 92 |
| Pages of publication | 16468 - 16471 |
| a | 8.9073 ± 0.0011 Å |
| b | 15.7025 ± 0.0018 Å |
| c | 9.9032 ± 0.0011 Å |
| α | 90° |
| β | 113.061 ± 0.004° |
| γ | 90° |
| Cell volume | 1274.4 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1459 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1467 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7118043.cif |
| 170147 | 2015-11-07 | cif/ Adding structures of 7118041, 7118042, 7118043, 7118044 via cif-deposit CGI script. |
7118043.cif |
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Users of the data should acknowledge the original authors of the
structural data.