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Information card for entry 1565990
Preview
| Coordinates | 1565990.cif |
|---|---|
| Structure factors | 1565990.hkl |
| Original paper (by DOI) | HTML |
| Formula | C37 H49 N6 O9 Zn1.5 |
|---|---|
| Calculated formula | C37 H49 N6 O9 Zn1.5 |
| Title of publication | Design, structural characterization and Hirshfeld surface analysis of Ni(II) and Zn(II) coordination polymers using mixed linker synthetic strategy based on tetratopic and macrocyclic N-donor ligands |
| Authors of publication | Dissem, Nour; Ferhi, Najmeddine; Maris, Thierry; Duong, Adam |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2022 |
| Journal volume | 1254 |
| Pages of publication | 132317 |
| a | 9.8822 ± 0.0003 Å |
| b | 10.8076 ± 0.0004 Å |
| c | 19.0586 ± 0.0004 Å |
| α | 91.26 ± 0.002° |
| β | 99.324 ± 0.002° |
| γ | 111.144 ± 0.003° |
| Cell volume | 1866.23 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0478 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272081 (current) | 2022-01-16 | cif/ hkl/ Adding structures of 1565990 via cif-deposit CGI script. |
1565990.cif 1565990.hkl |
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Users of the data should acknowledge the original authors of the
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