Information card for entry 7237736

Structure parameters

• Formula: C15 H17 B F2 N4 O
• Calculated formula: C15 H17 B F2 N4 O
• 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: 7.2781 ± 0.0012 Å
• b: 8.5866 ± 0.0014 Å
• c: 13.586 ± 0.002 Å
• α: 72.984 ± 0.006°
• β: 80.919 ± 0.006°
• γ: 72.59 ± 0.006°
• Cell volume: 772.4 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No