Crystallography Open Database

Information card for entry 7132911

Preview

Coordinates	7132911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 B Cl4 F6 N S Sb
Calculated formula	C38 H38 B Cl4 F6 N S Sb
Title of publication	Unlocking Lewis Acidity via the Redox Non-Innocence of a Phenothiazine-Substituted Borane
Authors of publication	Cosby, Taylor P. L.; Bhattacharjee, Avik; Henneberry, Samantha K.; LeBlanc, Jesse; Caputo, Christopher Blain
Journal of publication	Chemical Communications
Year of publication	2024
a	8.895 ± 0.0003 Å
b	16.5456 ± 0.0005 Å
c	27.257 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4011.5 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.242
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132911.html