Information card for entry 7108010

Structure parameters

• Common name: 1-(prop-1-yn)-2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)-3- methyl-2,4,5-trisila-1,3-distannabicyclo(1.1.1)pentane
• Chemical name: 1-(prop-1-yn)-2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3-distannabicyclo[1.1.1]pentane
• Formula: C65 H80 Si3 Sn2
• Calculated formula: C65 H80 Si3 Sn2
• SMILES: [Sn]12([Si](c3c(cc(cc3C)C)C)(c3c(C)cc(cc3C)C)[Sn]([Si]1(c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)([Si]2(c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)C)C#CC.c1cc(ccc1)C
• Title of publication: P-P Menschutkin preparation of prototypical phosphinophosphonium salts
• Authors of publication: Saurabh S. Chitnis; Elizabeth MacDonald; Neil Burford; Ulrike Werner-Zwanziger; Robert McDonald
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7359
• a: 11.384 ± 0.002 Å
• b: 26.502 ± 0.005 Å
• c: 19.445 ± 0.004 Å
• α: 90°
• β: 91.7 ± 0.03°
• γ: 90°
• Cell volume: 5864 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No