Crystallography Open Database

Information card for entry 7250553

Preview

Coordinates	7250553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 B F18 N11 O12 S6
Calculated formula	C42.0006 H48 B F18.0018 N11.0003 O12.0012 S6.0006
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	12.8183 ± 0.0004 Å
b	15.0863 ± 0.0004 Å
c	18.2974 ± 0.0006 Å
α	108.533 ± 0.002°
β	91.68 ± 0.002°
γ	105.476 ± 0.002°
Cell volume	3207.91 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.2009
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7250553.cif