Crystallography Open Database

Information card for entry 1567023

Preview

Coordinates	1567023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H15 I N9
Calculated formula	C30 H15 I N9
SMILES	Ic1c[n+](ccc1)C.N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N.N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N
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	7.168 ± 0.0004 Å
b	7.6291 ± 0.0004 Å
c	13.6797 ± 0.0008 Å
α	78.422 ± 0.005°
β	83.441 ± 0.005°
γ	69.68 ± 0.005°
Cell volume	686.44 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1567023.cif