Information card for entry 8104632

Structure parameters

• Formula: C14 H15 B2 Br F4 N4
• Calculated formula: C14 H15 B2 Br F4 N4
• Title of publication: Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C14H15B2BrF4N4
• Authors of publication: He, Weifeng; Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 949 - 952
• a: 11.9697 ± 0.0003 Å
• b: 10.0493 ± 0.0003 Å
• c: 27.8468 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3349.61 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No