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Information card for entry 4516479
Preview
| Coordinates | 4516479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [tetrakis{mu-(uracil-1-acetato-KO:KO´)}bis(dimethylsulfoxide)dicopper(II)]-dimethylsulfoxide (1/2) |
|---|---|
| Formula | C32 H44 Cu2 N8 O20 S4 |
| Calculated formula | C32 H44 Cu2 N8 O20 S4 |
| Title of publication | Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases |
| Authors of publication | Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5485 |
| a | 9.4621 ± 0.0005 Å |
| b | 11.1133 ± 0.0004 Å |
| c | 12.304 ± 0.0005 Å |
| α | 65.178 ± 0.002° |
| β | 78.605 ± 0.002° |
| γ | 89.604 ± 0.002° |
| Cell volume | 1146.94 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1555 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516479.cif |
| 231334 | 2019-11-22 | cif/ Adding structures of 4516474, 4516475, 4516476, 4516477, 4516478, 4516479 via cif-deposit CGI script. |
4516479.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.