Crystallography Open Database

Information card for entry 7250554

Preview

Coordinates	7250554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 B F18 N11 O12 S6
Calculated formula	C34 H40 B F18 N11 O12 S6
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	11.1886 ± 0.0004 Å
b	12.3411 ± 0.0005 Å
c	20.708 ± 0.0009 Å
α	104.968 ± 0.002°
β	96.406 ± 0.002°
γ	100.585 ± 0.002°
Cell volume	2676.99 ± 0.19 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	0.1068
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7250554.cif