Information card for entry 4117147

Structure parameters

• Formula: C36 H32 Au2 Cl6 Fe P2 S
• Calculated formula: C36 H32 Au2 Cl6 Fe P2 S
• SMILES: [P]1([Au]2S[Au]2[P]([c]23[cH]4[Fe]56789%102([c]21[cH]%10[cH]9[cH]8[cH]72)[cH]3[cH]5[cH]46)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 12.571 ± 0.004 Å
• b: 10.579 ± 0.004 Å
• c: 15.212 ± 0.004 Å
• α: 90°
• β: 107.84 ± 0.03°
• γ: 90°
• Cell volume: 1925.7 ± 1.1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.1147
• Weighted residual factors for significantly intense reflections: 0.1005
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No