Crystallography Open Database

Information card for entry 1559064

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Coordinates	1559064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 B F4 S Sb
Calculated formula	C33 H30 B F4 S Sb
SMILES	[Sb+](c1c(Sc2ccccc2)cccc1)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[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	20.555 Å
b	12.162 Å
c	24.558 Å
α	90°
β	101.94°
γ	90°
Cell volume	6006.43 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.0298
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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