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Information card for entry 4515166
Preview
| Coordinates | 4515166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H68 Ba2 N12 Ni4 O28 |
|---|---|
| Calculated formula | C72 H68 Ba2 N12 Ni4 O28 |
| Title of publication | Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State. |
| Authors of publication | Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M. |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 10231 - 10242 |
| a | 11.632 ± 0.002 Å |
| b | 16.114 ± 0.003 Å |
| c | 23.382 ± 0.006 Å |
| α | 100.388 ± 0.017° |
| β | 92.814 ± 0.018° |
| γ | 90.137 ± 0.016° |
| Cell volume | 4305.4 ± 1.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2806 |
| Residual factor for significantly intense reflections | 0.0932 |
| Weighted residual factors for significantly intense reflections | 0.182 |
| Weighted residual factors for all reflections included in the refinement | 0.2628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220268 (current) | 2019-10-28 | cif/ Adding structures of 4515166 via cif-deposit CGI script. |
4515166.cif |
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