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Information card for entry 4087927
Preview
| Coordinates | 4087927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N6 Ni |
|---|---|
| Calculated formula | C26 H24 N6 Ni |
| SMILES | [Ni]123c4c5N(c6[n]2c(ccc6)N(c2cccc(N(c6cccc(N(c4ccc5)C)[n]16)C)c32)C)C |
| Title of publication | Macrocyclic Aryl‒Nickel(II) Complexes: Synthesis, Structure, and Reactivity Studies |
| Authors of publication | Yang, Chi; Wu, Wen-Di; Zhao, Liang; Wang, Mei-Xiang |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 5167 |
| a | 27.248 ± 0.011 Å |
| b | 8.617 ± 0.003 Å |
| c | 21.659 ± 0.008 Å |
| α | 90° |
| β | 106.978 ± 0.005° |
| γ | 90° |
| Cell volume | 4864 ± 3 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2618 |
| Weighted residual factors for all reflections included in the refinement | 0.2636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237129 (current) | 2019-11-24 | cif/ Adding structures of 4087926, 4087927 via cif-deposit CGI script. |
4087927.cif |
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Users of the data should acknowledge the original authors of the
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