Information card for entry 7244397

Structure parameters

• Chemical name: Cl-Cl6BsubPc
• Formula: C24 H6 B Cl7 N6
• Calculated formula: C24 H6 B Cl7 N6
• Title of publication: Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines
• Authors of publication: Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 15
• Pages of publication: 2791 - 2807
• a: 13.0905 ± 0.0003 Å
• b: 7.4207 ± 0.0002 Å
• c: 25.4832 ± 0.0006 Å
• α: 90°
• β: 99.499 ± 0.001°
• γ: 90°
• Cell volume: 2441.51 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No