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Information card for entry 2312505
Preview
| Coordinates | 2312505.cif |
|---|---|
| Structure factors | 2312505.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4'-phenyl-2,2':6',2''-terpyridine)nickel(II) bis(perchlorate) |
|---|---|
| Formula | C42 H30 Cl2 N6 Ni O8 |
| Calculated formula | C42 H30 Cl2 N6 Ni O8 |
| Title of publication | Synthesis, characterization and structural analysis of complexes from 2,2':6',2''-terpyridine derivatives with transition metals. |
| Authors of publication | Fajardo, Daniel A.; Arteaga, Danny; Ellena, Javier; Santiago, Pedro H. O.; D'Vries, Richard F; Lenis, Luis Alberto |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 9.3581 ± 0.0002 Å |
| b | 12.6255 ± 0.0003 Å |
| c | 31.4046 ± 0.0008 Å |
| α | 90° |
| β | 97.038 ± 0.002° |
| γ | 90° |
| Cell volume | 3682.52 ± 0.15 Å3 |
| Cell temperature | 99.99 ± 0.14 K |
| Ambient diffraction temperature | 99.99 ± 0.14 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291899 (current) | 2024-05-17 | cif/ hkl/ Adding structures of 2312503, 2312504, 2312505 via cif-deposit CGI script. |
2312505.cif 2312505.hkl |
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Users of the data should acknowledge the original authors of the
structural data.