Information card for entry 2312607

Structure parameters

• Chemical name: (Octanolato)(subphthalocyaninato)boron
• Formula: C192 H178 B6 N36 O7
• Calculated formula: C192 H178 B6 N36 O7
• Title of publication: The influence of the axial group on the crystal structures of boron subphthalocyanines.
• Authors of publication: Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 15.3028 ± 0.0007 Å
• b: 16.2278 ± 0.0007 Å
• c: 17.3604 ± 0.0007 Å
• α: 103.045 ± 0.003°
• β: 105.716 ± 0.003°
• γ: 94.022 ± 0.003°
• Cell volume: 4003 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No