Information card for entry 7134249

Structure parameters

• Formula: C31 H20 B F7 N6 Sb
• Calculated formula: C31 H20.03 B F7 N6 Sb
• Title of publication: Isolating the ring-redox states of boron sub-phthalocyanines.
• Authors of publication: Zhou, Wen; McKearney, Declan; Okada, Yusuke; Kobayashi, Nagao; Leznoff, Daniel B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 19
• Pages of publication: 3832 - 3835
• a: 17.0434 ± 0.0013 Å
• b: 15.2817 ± 0.0012 Å
• c: 23.1365 ± 0.0019 Å
• α: 90°
• β: 101.53 ± 0.005°
• γ: 90°
• Cell volume: 5904.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.2201
• Residual factor for significantly intense reflections: 0.1999
• Weighted residual factors for significantly intense reflections: 0.4074
• Weighted residual factors for all reflections included in the refinement: 0.4146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No