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Information card for entry 7064389
Preview
| Coordinates | 7064389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H39 Cl N4 Ni O7 |
|---|---|
| Calculated formula | C36 H39 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 | 9.6511 ± 0.0001 Å |
| b | 29.7064 ± 0.0003 Å |
| c | 12.0379 ± 0.0001 Å |
| α | 90° |
| β | 105.978 ± 0.001° |
| γ | 90° |
| Cell volume | 3317.93 ± 0.06 Å3 |
| Cell temperature | 100.6 ± 1 K |
| Ambient diffraction temperature | 100.6 ± 1 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 305650 (current) | 2026-04-29 | cif/ Adding structures of 7064387, 7064388, 7064389 via cif-deposit CGI script. |
7064389.cif |
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