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Information card for entry 1550956
Preview
| Coordinates | 1550956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H64 Cl4 O2 P6 Ru2 S2 |
|---|---|
| Calculated formula | C33 H64 Cl4 O2 P6 Ru2 S2 |
| Title of publication | UO22±Mediated Ring Contraction of Pyrihexaphyrin: Synthesis of a Contracted Expanded Porphyrin-Uranyl Complex |
| Authors of publication | Brewster II, James T.; Root, Harrison Duane; Mangel, Daniel; Zafar, Hadiqa; Samia, Adam; Sedgwick, Adam C.; Lynch, Vincent; Sessler, Jonathan L. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.6931 ± 0.0005 Å |
| b | 13.6493 ± 0.0008 Å |
| c | 20.0677 ± 0.0012 Å |
| α | 82.98 ± 0.002° |
| β | 76.463 ± 0.002° |
| γ | 73.318 ± 0.002° |
| Cell volume | 2468.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214863 (current) | 2019-05-01 | cif/ Adding structures of 1550956, 1550957 via cif-deposit CGI script. |
1550956.cif |
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