Information card for entry 4321055

Structure parameters

• Chemical name: [{tri(o-mercaptophenyl)phosphine}gold(III)] dimer
• Formula: C36 H24 Au2 P2 S6
• Calculated formula: C36 H24 Au2 P2 S6
• SMILES: [Au]123Sc4c([P]1(c1c(cccc1)S[Au]15Sc6c([P]1(c1c(cccc1)S2)c1c(S5)cccc1)cccc6)c1c(S3)cccc1)cccc4
• Title of publication: Gold Complexes with Potentially Tri- and Tetradentate Phosphinothiolate Ligands
• Authors of publication: Kirstin Ortner; Louise Hilditch; Yifan Zheng; Jonathan R. Dilworth; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2801 - 2806
• a: 10.422 ± 0.002 Å
• b: 14.163 ± 0.003 Å
• c: 11.364 ± 0.002 Å
• α: 90°
• β: 94.48 ± 0.01°
• γ: 90°
• Cell volume: 1672.3 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No