Crystallography Open Database

Information card for entry 4134093

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Coordinates	4134093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 B F4 P S
Calculated formula	C24 H20 B F4 P S
Title of publication	Dual Chalcogen-Chalcogen Bonding Catalysis.
Authors of publication	Wang, Wei; Zhu, Haofu; Feng, Lei; Yu, Qun; Hao, Jing-Cheng; Zhu, Rongxiu; Wang, Yao
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	12.0332 ± 0.0002 Å
b	11.753 ± 0.0002 Å
c	16.0509 ± 0.0002 Å
α	90°
β	93.988 ± 0.001°
γ	90°
Cell volume	2264.52 ± 0.06 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	0.0927
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2041
Weighted residual factors for all reflections included in the refinement	0.2139
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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