Information card for entry 4321057

Structure parameters

• Chemical name: {Di(1-mercaptophenyl)phenylphosphine-S,P}{triphenylphosphine)gold(I)
• Formula: C36 H29 Au P2 S2
• Calculated formula: C36 H29 Au P2 S2
• SMILES: [Au]1(Sc2c([P]1(c1c(S)cccc1)c1ccccc1)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.833 ± 0.001 Å
• b: 18.158 ± 0.001 Å
• c: 14.909 ± 0.001 Å
• α: 90°
• β: 102.588 ± 0.003°
• γ: 90°
• Cell volume: 3126.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No