Information card for entry 7128881

Structure parameters

• Chemical name: [(Et3PAg)3(PhSi)3S6]
• Formula: C36 H60 Ag3 P3 S6 Si3
• Calculated formula: C36 H60 Ag3 P3 S6 Si3
• SMILES: [Ag]1([S]2[Ag]3([S]4[Ag](S13[Si]1(S[Si]4(S[Si]2(S1)c1ccccc1)c1ccccc1)c1ccccc1)[P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Selective replacement of organosilicon units in the cluster [(PhSi)₄S₆] with coinage metal complex fragments.
• Authors of publication: Nier, Simon; Ringelband, Sven; Dehnen, Stefanie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 79
• Pages of publication: 10254 - 10257
• a: 40.1788 ± 0.0014 Å
• b: 21.4061 ± 0.0007 Å
• c: 11.3403 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9753.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No