Information card for entry 4337996

Structure parameters

• Formula: C46 H33 B2 Br8 Cl2 F7 N5
• Calculated formula: C46 H33 B2 Br8 Cl2 F7 N5
• Title of publication: Mono- and diboron corroles: factors controlling stoichiometry and hydrolytic reactivity.
• Authors of publication: Albrett, Amelia M.; Thomas, Kolle E.; Maslek, Stefanie; Młodzianowska, Anna; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik; Brothers, Penelope J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5486 - 5493
• a: 10.016 ± 0.002 Å
• b: 11.514 ± 0.002 Å
• c: 23.409 ± 0.005 Å
• α: 85.85 ± 0.003°
• β: 79.514 ± 0.003°
• γ: 72.24 ± 0.003°
• Cell volume: 2527.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No