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Information card for entry 2241764
Preview
| Coordinates | 2241764.cif |
|---|---|
| Structure factors | 2241764.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}nickel(II) |
|---|---|
| Formula | C32 H16 Br6 N4 Ni O2 |
| Calculated formula | C32 H16 Br6 N4 Ni O2 |
| SMILES | c1(c(cc(cc1Br)Br)Br)[N]1=Nc2c(ccc3c2cccc3)O[Ni]21[N](c1c(cc(cc1Br)Br)Br)=Nc1c(ccc3c1cccc3)O2 |
| Title of publication | Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol |
| Authors of publication | Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 8 |
| Pages of publication | 1093 - 1098 |
| a | 11.0909 ± 0.0006 Å |
| b | 12.4571 ± 0.0006 Å |
| c | 12.5382 ± 0.0007 Å |
| α | 90° |
| β | 107.82 ± 0.002° |
| γ | 90° |
| Cell volume | 1649.17 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0982 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241764.cif 2241764.hkl |
| 184420 | 2016-07-13 | cif/ hkl/ Adding structures of 2241763, 2241764, 2241765 via cif-deposit CGI script. |
2241764.cif 2241764.hkl |
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