Information card for entry 2243811

Structure parameters

• Chemical name: Tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κ<i>P</i>)-μ-oxoethenylidene-<i>triangulo</i>-trigold(I) bis(trifluoromethanesulfonyl)imide
• Formula: C82 H105 Au3 F6 N O11 P3 S2
• Calculated formula: C82 H105 Au3 F6 N O11 P3 S2
• SMILES: [Au]([P](c1ccccc1c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1)[C](=C=O)([Au][P](c1ccccc1c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1)[Au][P](c1ccccc1c1c(OC)cccc1OC)(C1CCCCC1)C1CCCCC1.S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Crystal structure of tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κ<i>P</i>)-μ-oxoethenylidene-<i>triangulo</i>-trigold(I) bis(trifluoromethanesulfonyl)imide
• Authors of publication: Hartgerink, Colin T.; Staples, Richard J.; Anderson, Carolyn E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 537 - 541
• a: 24.0018 ± 0.0003 Å
• b: 12.4867 ± 0.0001 Å
• c: 28.4299 ± 0.0003 Å
• α: 90°
• β: 103.767 ± 0.0008°
• γ: 90°
• Cell volume: 8275.76 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0817
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes