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Information card for entry 7043408
Preview
Coordinates | 7043408.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H27 Au F5 P S |
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Calculated formula | C26 H27 Au F5 P S |
SMILES | c1(c(c(c(c(c1F)F)F)F)F)S[Au][P](c1c(c2ccccc2)cccc1)(C(C)(C)C)C(C)(C)C |
Title of publication | π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I) |
Authors of publication | Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 10.2791 ± 0.0004 Å |
b | 19.2381 ± 0.0008 Å |
c | 26.2618 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5193.3 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.089 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7043408.html
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