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Information card for entry 7718819
Preview
| Coordinates | 7718819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H73 B N8 Ni2 O6 |
|---|---|
| Calculated formula | C73 H73 B N8 Ni2 O6 |
| Title of publication | Modelling the Binding of Cytotoxic Dinuclear Nickel Complexes to two Neighboring Phosphate Esters of DNA Using Dicarboxylate Ligands |
| Authors of publication | Riediger, Thomas; Böhm, Maximilian; Kapiza, Michael; Stammler, Anja; Oldengott, Jan; Glaser, Thorsten |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 18.6053 ± 0.0008 Å |
| b | 24.5063 ± 0.001 Å |
| c | 14.977 ± 0.0007 Å |
| α | 90° |
| β | 112.945 ± 0.002° |
| γ | 90° |
| Cell volume | 6288.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299949 (current) | 2025-06-04 | cif/ Adding structures of 7718818, 7718819 via cif-deposit CGI script. |
7718819.cif |
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