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Information card for entry 1545364
Preview
| Coordinates | 1545364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 O8 P Pd2 S8 Y |
|---|---|
| Calculated formula | C40 H44 O8 P Pd2 S8 Y |
| SMILES | [Pd]123[S]=C(O[Y]456(OC(=[S][Pd]([S]=C(O4)C)([S]=C(O5)C)[S]=C(O6)C)C)(OC(=[S]1)C)(OC(=[S]2)C)OC(=[S]3)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands |
| Authors of publication | Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 3566 |
| a | 12.8004 ± 0.0005 Å |
| b | 12.8004 ± 0.0005 Å |
| c | 15.373 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2518.87 ± 0.17 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 7 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0281 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196331 (current) | 2017-05-06 | cif/ Updating files of 1545338, 1545339, 1545340, 1545341, 1545342, 1545343, 1545344, 1545345, 1545346, 1545347, 1545348, 1545349, 1545350, 1545351, 1545352, 1545353, 1545354, 1545355, 1545356, 1545357, 1545358, 1545359, 1545360, 1545361, 1545362, 1545363, 1545364 Original log message: Adding full bibliography for 1545338--1545364.cif. |
1545364.cif |
| 192694 | 2017-03-02 | cif/ Adding structures of 1545338, 1545339, 1545340, 1545341, 1545342, 1545343, 1545344, 1545345, 1545346, 1545347, 1545348, 1545349, 1545350, 1545351, 1545352, 1545353, 1545354, 1545355, 1545356, 1545357, 1545358, 1545359, 1545360, 1545361, 1545362, 1545363, 1545364 via cif-deposit CGI script. |
1545364.cif |
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Users of the data should acknowledge the original authors of the
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