Crystallography Open Database

Information card for entry 7250555

Preview

Coordinates	7250555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 B F18 N11 O12 S6
Calculated formula	C49.998 H56 B F17.994 N10.999 O11.996 S5.998
Title of publication	Salts of boronium (+3) ions with unprecedented hydrolytic stability. Design, synthesis, single-crystal X-ray structures, electrochemistry, and thermophysical properties
Authors of publication	Crowley, Margaret E.; Stachurski, Christopher D.; Davis, James H.; Zeller, Matthias; Merchant, Gabriel A.; Salter, E. A.; Wierzbicki, A.; O'Brien, Richard A.; Trulove, Paul C.; Durkin, David P.
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	25
Pages of publication	19947 - 19953
a	13.3318 ± 0.0005 Å
b	29.6715 ± 0.0011 Å
c	17.2747 ± 0.0007 Å
α	90°
β	110.925 ± 0.001°
γ	90°
Cell volume	6382.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300066 (current)	2025-06-13	cif/ Adding structures of 7250552, 7250553, 7250554, 7250555 via cif-deposit CGI script.	7250555.cif