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Information card for entry 7712093
Preview
| Coordinates | 7712093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 Cl2 N3 O6 Re2 |
|---|---|
| Calculated formula | C17 H11 Cl2 N3 O6 Re2 |
| SMILES | c1c(cc[n]2[n]1[Re]1(C#[O])(C#[O])(C#[O])[Cl][Re]2(C#[O])(C#[O])(C#[O])[Cl]1)CN(CC#C)CC#C |
| Title of publication | Replacement of the phosphodiester backbone between canonical nucleosides with a dirhenium carbonyl "click" linker-a new class of luminescent organometallic dinucleoside phosphate mimics. |
| Authors of publication | Skiba, Joanna; Kowalczyk, Aleksandra; Gorski, Aleksander; Dutkiewicz, Natalia; Gapińska, Magdalena; Stróżek, Józef; Woźniak, Krzysztof; Trzybiński, Damian; Kowalski, Konrad |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 1551 - 1567 |
| a | 19.1476 ± 0.0004 Å |
| b | 6.13921 ± 0.00008 Å |
| c | 20.3399 ± 0.0004 Å |
| α | 90° |
| β | 115.439 ± 0.002° |
| γ | 90° |
| Cell volume | 2159.16 ± 0.08 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283299 (current) | 2023-05-05 | cif/ Updating files of 7712092, 7712093 Original log message: Adding full bibliography for 7712092--7712093.cif. |
7712093.cif |
| 280291 | 2023-01-12 | cif/ Adding structures of 7712092, 7712093 via cif-deposit CGI script. |
7712093.cif |
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Users of the data should acknowledge the original authors of the
structural data.