Information card for entry 4107195

Structure parameters

• Formula: C83 H55 Cl3 F3 N8 O2 P1.5 S8
• Calculated formula: C83 H55 Cl3 F3 N8 O2 P1.5 S8
• Title of publication: Rationally Designed Phthalocyanines Having Their Main Absorption Band beyond 1000 nm
• Authors of publication: Nagao Kobayashi; Taniyuki Furuyama; Koh Satoh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19642 - 19645
• a: 17.407 ± 0.004 Å
• b: 37.264 ± 0.008 Å
• c: 29.795 ± 0.006 Å
• α: 90°
• β: 101.927 ± 0.003°
• γ: 90°
• Cell volume: 18909 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2032
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No