Information card for entry 4519406

Structure parameters

• Formula: C50 H38 Au2 P2 S4
• Calculated formula: C50 H38 Au2 P2 S4
• SMILES: [Au]([P](c1ccccc1)(CC[P]([Au]c1c2Sc3ccccc3Sc2ccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1c2Sc3ccccc3Sc2ccc1
• Title of publication: Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.
• Authors of publication: Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 9594 - 9601
• a: 12.3768 ± 0.0001 Å
• b: 16.5846 ± 0.0002 Å
• c: 21.3999 ± 0.0002 Å
• α: 90°
• β: 101.368 ± 0.001°
• γ: 90°
• Cell volume: 4306.46 ± 0.08 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No