Information card for entry 4327712

Structure parameters

• Formula: C51 H30 Au F10 N P2 S5
• Calculated formula: C51 H30 Au F10 N P2 S5
• SMILES: [Au]1(SC2SC(=S)SC=2S1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Reactivity of Heteroleptic Complexes of Gold with 2-Thioxo-1,3-dithiole-4,5-dithiolate (dmit). X-ray Structure of [Au~2~(μ-dmit)(PPh~3~)~2~], NBu~4~[Au(dmit)(PPh~3~)] and PPN[Au(dmit)(C~6~F~5~)~2~]
• Authors of publication: Elena Cerrada; Peter G. Jones; Antonio Laguna; Mariano Laguna
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 2995 - 3000
• a: 12.911 ± 0.003 Å
• b: 34.194 ± 0.007 Å
• c: 11.657 ± 0.003 Å
• α: 90°
• β: 110.71 ± 0.02°
• γ: 90°
• Cell volume: 4814 ± 2 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.0723
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No