Information card for entry 2007016

Structure parameters

• Chemical name: μ^2^(2-thioxo-1,3-dithiole-4,5-dithiolate)bis(tri-p-metoxyphenyl phosphine)digold(I)
• Formula: C45 H42 Au2 O6 P2 S5
• Calculated formula: C45 H42 Au2 O6 P2 S5
• SMILES: [Au]1([Au](SC2SC(=S)SC=2S1)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: μ-(2-Thioxo-1,3-dithiole-4,5-dithiolato)-bis{[tris(<i>p</i>-methoxyphenyl)phosphine]gold(I)}
• Authors of publication: Cerrada, Elena; Laguna, Mariano; Villacampa, M. Dolores
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 201 - 203
• a: 13.776 ± 0.003 Å
• b: 13.262 ± 0.003 Å
• c: 24.964 ± 0.01 Å
• α: 90°
• β: 94.54 ± 0.04°
• γ: 90°
• Cell volume: 4547 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.0868
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No