Information card for entry 4327710

Structure parameters

• Formula: C39 H30 Au2 P2 S5
• Calculated formula: C39 H30 Au2 P2 S5
• SMILES: [Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](C2SC(=S)SC=2S1)[Au][P](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: 10.191 ± 0.002 Å
• b: 12.55 ± 0.003 Å
• c: 15.038 ± 0.004 Å
• α: 85.36 ± 0.02°
• β: 75.73 ± 0.03°
• γ: 89.88 ± 0.02°
• Cell volume: 1857.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.0571
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No