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Information card for entry 7064388
Preview
| Coordinates | 7064388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H33 Br2 Cl N4 Ni O7 |
|---|---|
| Calculated formula | C34 H33 Br2 Cl N4 Ni O7 |
| Title of publication | Nickel(II)-Flavonolate Complexes of Tetradentate 4N Donor Ligands as Enzyme-Substrate Models of Quercetin-2,4-Dioxygenase: Role of Ligand Steric and Electronic Properties on Dioxygenolysis |
| Authors of publication | Devaraj , Karthickram; Bhuvanesh, Nattamai; Sundaravel, Karuppasamy |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| a | 9.6334 ± 0.0001 Å |
| b | 30.008 ± 0.0002 Å |
| c | 12.0379 ± 0.0001 Å |
| α | 90° |
| β | 105.934 ± 0.001° |
| γ | 90° |
| Cell volume | 3346.2 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0665 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1585 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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