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Information card for entry 4133767
Preview
| Coordinates | 4133767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C147 H102 F27 N2 O6 P4 Ru S6 Yb |
|---|---|
| Calculated formula | C147 H102 F27 N2 O6 P4 Ru S6 Yb |
| SMILES | [Ru]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(C#Cc1ccccc1)C#Cc1ccc2[n](c1)[Yb]134([n]5c2cccc5)([O]=C(C(F)(F)F)C=C(O1)c1sc(c(c1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(sc(c1)c1ccccc1)C)C)(OC(=CC(=[O]3)c1sc(c(c1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(sc(c1)c1ccccc1)C)C)C(F)(F)F)OC(=CC(=[O]4)c1sc(c(c1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(sc(c1)c1ccccc1)C)C)C(F)(F)F |
| Title of publication | Dual Light and Redox Control of NIR Luminescence with Complementary Photochromic and Organometallic Antennae. |
| Authors of publication | Al Sabea, Hassan; Norel, Lucie; Galangau, Olivier; Hijazi, Hussein; Métivier, Remi; Roisnel, Thierry; Maury, Olivier; Bucher, Christophe; Riobé, François; Rigaut, Stéphane |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 51 |
| Pages of publication | 20026 - 20030 |
| a | 20.566 ± 0.0007 Å |
| b | 22.9402 ± 0.0008 Å |
| c | 23.6774 ± 0.0009 Å |
| α | 71.31 ± 0.001° |
| β | 65.059 ± 0.001° |
| γ | 68.595 ± 0.002° |
| Cell volume | 9245 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.1898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246551 (current) | 2020-01-04 | cif/ Updating files of 4133767 Original log message: Adding full bibliography for 4133767.cif. |
4133767.cif |
| 245112 | 2019-12-14 | cif/ Adding structures of 4133767 via cif-deposit CGI script. |
4133767.cif |
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Users of the data should acknowledge the original authors of the
structural data.