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Information card for entry 7043410
Preview
Coordinates | 7043410.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H27 Au F3 P S |
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Calculated formula | C21 H27 Au F3 P S |
SMILES | [Au]([P](c1ccccc1c1ccccc1)(C(C)(C)C)C(C)(C)C)SC(F)(F)F |
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 | 10.4259 ± 0.0004 Å |
b | 18.4324 ± 0.0006 Å |
c | 11.9129 ± 0.0004 Å |
α | 90° |
β | 106.15 ± 0.004° |
γ | 90° |
Cell volume | 2199.01 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0457 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/7043410.html
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