Crystallography Open Database

Information card for entry 1576569

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Coordinates	1576569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H9 B3 F12
Calculated formula	C22 H9 B F12
Title of publication	Modulating halide leaving-group trends through recognition by bisboranes
Authors of publication	Liu, Tong-Tong; Li, Xiao-Wen; Cui, Yun-Shu; Deng, Zi-Hao; Liu, Feng; Zhai, Dan-Dan; Shi, Zhang-Jie
Journal of publication	Chemical Science
Year of publication	2026
a	23.3734 ± 0.0005 Å
b	11.8595 ± 0.0003 Å
c	15.6482 ± 0.0004 Å
α	90°
β	107.595 ± 0.001°
γ	90°
Cell volume	4134.7 ± 0.17 Å³
Cell temperature	152.72 K
Ambient diffraction temperature	152.72 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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