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Information card for entry 1531944
Preview
| Coordinates | 1531944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [AgPd(CNArDipp2)2(C7H8)]OTf |
|---|---|
| Formula | C84 H98 Ag F3 N2 O3 Pd S |
| Calculated formula | C84 H98 Ag F3 N2 O3 Pd S |
| SMILES | [Ag]12[Pd](C#[N]c3c(cccc3C3C(=C[CH]1=[CH]2C=3C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[cH]1ccccc1C.c1(C)ccccc1.c1(C)ccccc1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding |
| Authors of publication | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 7169 |
| a | 14.5289 ± 0.0018 Å |
| b | 15.663 ± 0.002 Å |
| c | 17.673 ± 0.002 Å |
| α | 96.662 ± 0.004° |
| β | 109.412 ± 0.004° |
| γ | 94.019 ± 0.004° |
| Cell volume | 3742.1 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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 |
|---|---|---|---|
| 170960 (current) | 2015-12-09 | cif/ Updating files of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 Original log message: Adding full bibliography for 1531937--1531946.cif. |
1531944.cif |
| 157542 | 2015-09-18 | cif/ Adding structures of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 via cif-deposit CGI script. |
1531944.cif |
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Users of the data should acknowledge the original authors of the
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