Crystallography Open Database

Information card for entry 7245743

Preview

Coordinates	7245743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H14 N4
Calculated formula	C25 H14 N4
Title of publication	Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor
Authors of publication	Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei
Journal of publication	CrystEngComm
Year of publication	2022
a	11.0146 ± 0.0006 Å
b	13.1035 ± 0.0006 Å
c	6.7957 ± 0.0004 Å
α	90°
β	103.571 ± 0.006°
γ	90°
Cell volume	953.44 ± 0.09 Å³
Cell temperature	295.1 ± 0.1 K
Ambient diffraction temperature	295.1 ± 0.1 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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/7245743.html