Information card for entry 7236407

Structure parameters

• Common name: (3BS)2-SiPc
• Chemical name: bis(tributylsilane)-silicon phthalocyanine
• Formula: C56 H70 N8 O2 Si3
• Calculated formula: C56 H70 N8 O2 Si3
• Title of publication: Bis(tri-n-alkylsilyl oxide) silicon phthalocyanines: a start to establishing a structure property relationship as both ternary additives and non-fullerene electron acceptors in bulk heterojunction organic photovoltaic devices
• Authors of publication: Dang, Minh-Trung; Grant, Trevor M.; Yan, Han; Seferos, Dwight S.; Lessard, Benoît H.; Bender, Timothy P.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 12168
• a: 10.4051 ± 0.0006 Å
• b: 11.1819 ± 0.0007 Å
• c: 11.9261 ± 0.0007 Å
• α: 97.44 ± 0.002°
• β: 102.813 ± 0.002°
• γ: 103.84 ± 0.002°
• Cell volume: 1289.11 ± 0.13 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No