Crystallography Open Database

Information card for entry 7245410

Preview

Coordinates	7245410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 K N8 O6
Calculated formula	C44 H32 K N8 O6
Title of publication	Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts
Authors of publication	Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.
Journal of publication	CrystEngComm
Year of publication	2022
a	7.8459 ± 0.0003 Å
b	14.5336 ± 0.0004 Å
c	17.8334 ± 0.0004 Å
α	96.62 ± 0.001°
β	93.222 ± 0.002°
γ	101.779 ± 0.002°
Cell volume	1970.77 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277563 (current)	2022-09-02	cif/ Adding structures of 7245408, 7245409, 7245410, 7245411, 7245412 via cif-deposit CGI script.	7245410.cif