Information card for entry 7237737

Structure parameters

• Formula: C14 H14 B F2 N3 O2
• Calculated formula: C14 H14 B F2 N3 O2
• Title of publication: Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment
• Authors of publication: Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 4533
• a: 10.8986 ± 0.0002 Å
• b: 11.8661 ± 0.0002 Å
• c: 11.1113 ± 0.0002 Å
• α: 90°
• β: 91.844 ± 0.001°
• γ: 90°
• Cell volume: 1436.21 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0394
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No