Crystallography Open Database

Information card for entry 7236191

Preview

Coordinates	7236191.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	B3B
Formula	C16 H12 B F2 N O3
Calculated formula	C16 H12 B F2 N O3
Title of publication	Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
Authors of publication	Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	49
Pages of publication	43755
a	7.1557 ± 0.0014 Å
b	8.6916 ± 0.0017 Å
c	22.455 ± 0.005 Å
α	90°
β	92.46 ± 0.03°
γ	90°
Cell volume	1395.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0711
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235248 (current)	2019-11-23	cif/ Adding structures of 7236189, 7236190, 7236191, 7236192, 7236193, 7236194 via cif-deposit CGI script.	7236191.cif