Crystallography Open Database

Information card for entry 1567031

Preview

Coordinates	1567031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H16 N10
Calculated formula	C36 H16 N10
Title of publication	Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
Authors of publication	Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Journal of publication	IUCrJ
Year of publication	2022
Journal volume	9
Journal issue	4
a	7.1249 ± 0.0013 Å
b	7.6572 ± 0.0013 Å
c	14.4249 ± 0.001 Å
α	89.017 ± 0.01°
β	83.589 ± 0.012°
γ	68.34 ± 0.017°
Cell volume	726.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1394
Residual factor for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.3816
Goodness-of-fit parameter for all reflections included in the refinement	1.481
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
275679 (current)	2022-05-28	cif/ Adding structures of 1567020, 1567021, 1567022, 1567023, 1567024, 1567025, 1567026, 1567027, 1567028, 1567029, 1567030, 1567031, 1567032, 1567033, 1567034, 1567035, 1567036, 1567037 via cif-deposit CGI script.	1567031.cif