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Information card for entry 2108770
Preview
| Coordinates | 2108770.cif |
|---|---|
| Structure factors | 2108770.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[{2-methoxy-6-[8-(pyridin-2-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]phenolato}nickel(II)]-μ-dicyanamidato] |
|---|---|
| Formula | C18 H16 N6 Ni O4 |
| Calculated formula | C18 H16 N6 Ni O4 |
| Title of publication | A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis |
| Authors of publication | Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 168 - 181 |
| a | 9.5255 ± 0.0011 Å |
| b | 17.0181 ± 0.0016 Å |
| c | 11.2611 ± 0.0011 Å |
| α | 90° |
| β | 93.25 ± 0.01° |
| γ | 90° |
| Cell volume | 1822.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1275 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.1517 |
| Weighted residual factors for all reflections included in the refinement | 0.1789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261791 (current) | 2021-02-05 | cif/ Updating files of 2108768, 2108769, 2108770 Original log message: Adding full bibliography for 2108768--2108770.cif. |
2108770.cif 2108770.hkl |
| 261304 | 2021-01-29 | cif/ hkl/ Adding structures of 2108768, 2108769, 2108770 via cif-deposit CGI script. |
2108770.cif 2108770.hkl |
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Users of the data should acknowledge the original authors of the
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