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Information card for entry 1561255
Preview
| Coordinates | 1561255.cif |
|---|---|
| Structure factors | 1561255.hkl |
| Original paper (by DOI) | HTML |
| Formula | C42 H34 Mg0.5 N4 O4 |
|---|---|
| Calculated formula | C42 H34 Mg0.5 N4 O4 |
| Title of publication | Two novel magnesium(II) meso-tetraphenylporphyrin-based coordination complexes: Syntheses, combined experimental and theoretical structures elucidation, spectroscopy, photophysical properties and antibacterial activity |
| Authors of publication | Amiri, Nesrine; Hajji, Melek; Taheur, Fadia Ben; Chevreux, Sylviane; Roisnel, Thierry; Lemercier, Gilles; Nasri, Habib |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 258 |
| Pages of publication | 477 - 484 |
| a | 10.278 ± 0.005 Å |
| b | 10.443 ± 0.005 Å |
| c | 16.36 ± 0.005 Å |
| α | 81.867 ± 0.005° |
| β | 83.561 ± 0.005° |
| γ | 78.041 ± 0.005° |
| Cell volume | 1694.3 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0507 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263318 (current) | 2021-03-25 | cif/ hkl/ Adding structures of 1561255 via cif-deposit CGI script. |
1561255.cif 1561255.hkl |
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Users of the data should acknowledge the original authors of the
structural data.