Information card for entry 2312615

Structure parameters

• Chemical name: (<i>N</i>-Phenylbenzamido)(subphthalocyaninato)boron
• Formula: C31 H20.28 B N7 O0.14
• Calculated formula: C31 H20.281 B N7 O0.1405
• 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: 11.4897 ± 0.0005 Å
• b: 11.7489 ± 0.0005 Å
• c: 19.3046 ± 0.0008 Å
• α: 73.348 ± 0.002°
• β: 81.941 ± 0.002°
• γ: 76.167 ± 0.002°
• Cell volume: 2417.05 ± 0.18 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: 0.0429
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No