Crystallography Open Database

Information card for entry 1559062

Preview

Coordinates	1559062.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C30H24SBF4Sb
Formula	C30 H24 B F4 S Sb
Calculated formula	C30 H24 B F4 S Sb
SMILES	[Sb+](c1c(Sc2ccccc2)cccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
Title of publication	Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport
Authors of publication	Park, Gyeongjin; Gabbaï, François P.
Journal of publication	Chemical Science
Year of publication	2020
a	7.9877 ± 0.0011 Å
b	15.558 ± 0.002 Å
c	21.445 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2665 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.01 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
256334 (current)	2020-09-11	cif/ Adding structures of 1559061, 1559062, 1559063, 1559064, 1559065 via cif-deposit CGI script.	1559062.cif