Information card for entry 1569241

Structure parameters

• Formula: C54 H45 As3 Au Cl
• Calculated formula: C54 H45 As3 Au Cl
• SMILES: [Au]([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Monoarsine-protected icosahedral cluster [Au₁₃(AsPh₃)₈Cl₄]⁺: comparative studies on ligand effect and surface reactivity with its stibine analogue.
• Authors of publication: Yu, Jiu-Hong; Yuan, Zhi-Rui; Xu, Jing; Wang, Jin-Gui; Azam, Mohammad; Li, Tian-Duo; Li, Ying-Zhou; Sun, Di
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6564 - 6571
• a: 13.2861 ± 0.0004 Å
• b: 13.9323 ± 0.0004 Å
• c: 14.0077 ± 0.0004 Å
• α: 83.702 ± 0.002°
• β: 75.517 ± 0.003°
• γ: 86.706 ± 0.002°
• Cell volume: 2494.14 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No