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Information card for entry 1531942
Preview
| Coordinates | 1531942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [AgPd(CNArDipp2)2(THF)]OTf |
|---|---|
| Formula | C93 H134 Ag F3 N2 O10.5 Pd S |
| Calculated formula | C67 H82 Ag F3 N2 O4 Pd S |
| SMILES | [Ag][Pd]([O]1CCCC1)(C#[N]c1c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(cccc1C(C)C)C(C)C.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 | 15.5936 ± 0.0016 Å |
| b | 21.315 ± 0.002 Å |
| c | 24.141 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8023.9 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0821 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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 |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1531942.cif |
| 170960 | 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. |
1531942.cif |
| 157542 | 2015-09-18 | cif/ Adding structures of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 via cif-deposit CGI script. |
1531942.cif |
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Users of the data should acknowledge the original authors of the
structural data.