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Information card for entry 7709349
Preview
| Coordinates | 7709349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H85 B N6 Ni2 O12 P2 |
|---|---|
| Calculated formula | C88 H85 B N6 Ni2 O12 P2 |
| Title of publication | Evaluation of the Binding Mode of a Cytotoxic Dinuclear Nickel Complex to two Neighboring Phosphates of the DNA Backbone |
| Authors of publication | Simon, Jasmin; Horstmann, Claudia; Mix, Andreas; Stammler, Anja; Oldengott, Jan; Bögge, Hartmut; Glaser, Thorsten |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 18.9153 ± 0.0006 Å |
| b | 13.8331 ± 0.0004 Å |
| c | 16.2657 ± 0.0005 Å |
| α | 90° |
| β | 114.705 ± 0.0012° |
| γ | 90° |
| Cell volume | 3866.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272215 (current) | 2022-01-25 | cif/ Adding structures of 7709348, 7709349, 7709350 via cif-deposit CGI script. |
7709349.cif |
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Users of the data should acknowledge the original authors of the
structural data.