Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4117148
Preview
Coordinates | 4117148.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 |
---|---|
Calculated formula | C112 H92 Au6 Cl24 F6 Fe3 O6 P6 S4 |
SMILES | [Au]([S]1[Au][P](c2ccccc2)(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]34562789[cH]%10[cH]2[cH]7[c]8([cH]9%10)[P]([Au][S]([Au]2)[Au][P](c3ccccc3)(c3ccccc3)[c]34[cH]5[cH]6[cH]([Fe]356789%10%11[cH]3[cH]7[cH]8[c]9([P]2(c2ccccc2)c2ccccc2)[cH]3%10)[cH]4%11)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]23456789[c]3([cH]8[cH]9[cH]2[cH]37)[P]([Au]1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Aurophilicity at Sulfur Centers. Synthesis and Reactivity of the Complex [S(Au2dppf)]; Formation of Polynuclear Sulfur-Centered Complexes. Crystal Structures of [S(Au2dppf)].2CHCl3, [(μ-Au2dppf){S(Au2dppf)}2](OTf)2. 8CHCl3, and [S(AuPPh2Me)2(Au2dppf)](ClO4)2.3CH2Cl2 |
Authors of publication | Fernando Canales; M. Concepción Gimeno; Antonio Laguna; Peter G. Jones |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1996 |
Journal volume | 118 |
Pages of publication | 4839 - 4845 |
a | 15.177 ± 0.003 Å |
b | 18.408 ± 0.004 Å |
c | 27.894 ± 0.008 Å |
α | 88.83 ± 0.02° |
β | 84.46 ± 0.02° |
γ | 67.78 ± 0.02° |
Cell volume | 7179 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1907 |
Residual factor for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections | 0.2178 |
Weighted residual factors for significantly intense reflections | 0.1783 |
Goodness-of-fit parameter for all reflections | 0.865 |
Goodness-of-fit parameter for significantly intense reflections | 1.13 |
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/4117148.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.