Information card for entry 4327711

Structure parameters

• Formula: C37 H51 Au N P S5
• Calculated formula: C37 H51 Au N P S5
• SMILES: [Au]1(SC2SC(=S)SC=2S1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 17.134 ± 0.004 Å
• b: 30.08 ± 0.005 Å
• c: 17.048 ± 0.004 Å
• α: 90°
• β: 115.76 ± 0.02°
• γ: 90°
• Cell volume: 7913 ± 3 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for significantly intense reflections: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No