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Information card for entry 3000467
Preview
| Coordinates | 3000467.cif |
|---|---|
| Structure factors | 3000467.hkl |
| Original paper (by DOI) | HTML |
| Formula | C12 H16 N4 O9 Pd |
|---|---|
| Calculated formula | C12 H14 N4 O9 Pd |
| Title of publication | Selective Formation of Pd-DNA Hybrids Using Tailored Palladium-Mediated Base Pairs: Towards Heteroleptic Pd-DNA Systems. |
| Authors of publication | Pérez-Romero, Antonio; Cano-Muñoz, Mario; López-Chamorro, Carmen; Conejero-Lara, Francisco; Palacios, Oscar; Dobado, José A; Galindo, Miguel A |
| Journal of publication | Angewandte Chemie International Edition |
| Year of publication | 2024 |
| Journal volume | 63 |
| Journal issue | 11 |
| Pages of publication | e202400261 |
| a | 6.702 ± 0.0003 Å |
| b | 9.832 ± 0.0005 Å |
| c | 13.1889 ± 0.0007 Å |
| α | 95.501 ± 0.002° |
| β | 93.318 ± 0.002° |
| γ | 107.373 ± 0.002° |
| Cell volume | 822.17 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290575 (current) | 2024-03-21 | cif/ hkl/ Updating files of 3000467 Original log message: Releasing structure 3000467 into public domain as published material. |
3000467.cif 3000467.hkl |
| 288211 | 2023-12-11 | cif/ hkl/ Adding structures of 3000467 via cif-deposit CGI script. |
3000467.cif |
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Users of the data should acknowledge the original authors of the
structural data.