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Information card for entry 2023333
Preview
| Coordinates | 2023333.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{1,1'-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-<i>a</i>]pyridine]-κ^2^<i>N</i>,<i>N</i>'}copper(II) |
|---|---|
| Formula | C33 H21 Cl2 Cu F3 N4 |
| Calculated formula | C33 H21 Cl2 Cu F3 N4 |
| SMILES | [Cu]1(Cl)([n]2c(n3ccccc3c2C(c2[n]1c(n1c2cccc1)c1cc(F)ccc1)c1cc(F)ccc1)c1cc(F)ccc1)Cl |
| Title of publication | Syntheses, structures and anticancer activities of CuII and ZnII complexes containing 1,1′-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-a]pyridine] |
| Authors of publication | Le Thi Hong, Hai; Nguyen Van, Hau; Hoang Tuan, Duong; Tran Quang, Hung; Dang Thanh, Tuan; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 9.3994 ± 0.0002 Å |
| b | 10.8016 ± 0.0003 Å |
| c | 15.2355 ± 0.0004 Å |
| α | 104.272 ± 0.002° |
| β | 99.186 ± 0.002° |
| γ | 101.529 ± 0.002° |
| Cell volume | 1432.86 ± 0.07 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2023333.html
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