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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)c1ccccc1C.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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1531944.html
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