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Information card for entry 4087926
Preview
| Coordinates | 4087926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 Cl N7 Ni O4 |
|---|---|
| Calculated formula | C25 H24 Cl N7 Ni O4 |
| SMILES | [Ni]123c4c5cccc4N(c4[n]1c(ccc4)N(C)c1cccc([n]21)N(C)c1cccc([n]31)N5C)C.Cl(=O)(=O)(=O)[O-] |
| 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 | 13.884 ± 0.003 Å |
| b | 8.6037 ± 0.0017 Å |
| c | 20.772 ± 0.004 Å |
| α | 90° |
| β | 108.36 ± 0.03° |
| γ | 90° |
| Cell volume | 2355 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0806 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.1798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| 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. |
4087926.cif |
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Users of the data should acknowledge the original authors of the
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