Crystallography Open Database

Information card for entry 7233141

Preview

Coordinates	7233141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H47 B10 N O S
Calculated formula	C22 H47 B10 N O S
Title of publication	[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores
Authors of publication	Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	1144 - 1159
a	9.7645 ± 0.0012 Å
b	15.716 ± 0.002 Å
c	20.148 ± 0.003 Å
α	77.516 ± 0.002°
β	83.823 ± 0.002°
γ	78.246 ± 0.002°
Cell volume	2948.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1449
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2374
Weighted residual factors for all reflections included in the refinement	0.2834
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
217058 (current)	2019-07-16	cif/ Adding structures of 7233141 via cif-deposit CGI script.	7233141.cif