Information card for entry 7236379

Structure parameters

• Common name: (HxN3)2-SiPc
• Chemical name: bis(6-azohexylacrylate) silicon phthalocyanine
• Formula: C44 H36 N14 O4 Si
• Calculated formula: C44 H36 N14 O4 Si
• Title of publication: Multifunctional ternary additive in bulk heterojunction OPV: increased device performance and stability
• Authors of publication: Grant, Trevor M.; Gorisse, Therese; Dautel, Olivier; Wantz, Guillaume; Lessard, Benoît H.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1581
• a: 10.4224 ± 0.0008 Å
• b: 24.105 ± 0.002 Å
• c: 8.1188 ± 0.0006 Å
• α: 90°
• β: 104.085 ± 0.005°
• γ: 90°
• Cell volume: 1978.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1167
• 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