Information card for entry 4117149

Structure parameters

• Formula: C63 H60 Au4 Cl8 Fe O8 P4 S
• Calculated formula: C63 H54 Au4 Cl8.02 Fe O8 P4 S
• 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: 13.727 ± 0.002 Å
• b: 15.952 ± 0.003 Å
• c: 17.763 ± 0.002 Å
• α: 71.738 ± 0.012°
• β: 73.264 ± 0.014°
• γ: 75.96 ± 0.02°
• Cell volume: 3487.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections: 0.1945
• Weighted residual factors for significantly intense reflections: 0.157
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No