Information card for entry 7237304

Structure parameters

• Chemical name: Bis(benzoate) silicon phthalocyanine
• Formula: C46 H26 N8 O4 Si
• Calculated formula: C46 H26 N8 O4 Si
• Title of publication: Silicon phthalocyanines as N-type semiconductors in organic thin film transistors
• Authors of publication: Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 5482
• a: 9.2516 ± 0.0005 Å
• b: 10.4441 ± 0.0005 Å
• c: 10.6544 ± 0.0005 Å
• α: 108.442 ± 0.002°
• β: 112.993 ± 0.002°
• γ: 97.706 ± 0.002°
• Cell volume: 859 ± 0.08 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: 0.0334
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No