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Information card for entry 7043412
Preview
Coordinates | 7043412.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H31 Au F P S |
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Calculated formula | C26 H31 Au F P S |
SMILES | c1(ccc(cc1)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 | 11.1857 ± 0.0004 Å |
b | 14.4424 ± 0.0009 Å |
c | 16.8674 ± 0.001 Å |
α | 109.492 ± 0.006° |
β | 104.94 ± 0.004° |
γ | 90.395 ± 0.004° |
Cell volume | 2469 ± 0.3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0495 |
Weighted residual factors for all reflections included in the refinement | 0.0547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/7043412.html
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Users of the data should acknowledge the original authors of the
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