Information card for entry 4510404

Structure parameters

• Common name: Br/Cl-Cl6BsubPc
• Chemical name: Bromido/chlorodo(hexachlorosubphthalocyaninato)boron(III)
• Formula: C24 H6 B Br0.27 Cl6.73 N6
• Calculated formula: C24 H6 B Br0.267 Cl6.733 N6
• Title of publication: Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines
• Authors of publication: Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2138
• a: 13.1456 ± 0.0003 Å
• b: 7.4954 ± 0.0003 Å
• c: 25.5678 ± 0.001 Å
• α: 90°
• β: 99.523 ± 0.002°
• γ: 90°
• Cell volume: 2484.52 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1207
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No