Information card for entry 7134250

Structure parameters

• Formula: C30 H18 B F N6
• Calculated formula: C30 H18 B F N6
• 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: 10.8237 ± 0.0007 Å
• b: 14.3172 ± 0.001 Å
• c: 16.0555 ± 0.0012 Å
• α: 90°
• β: 108.756 ± 0.004°
• γ: 90°
• Cell volume: 2355.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No