Crystallography Open Database

Information card for entry 7246081

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Coordinates	7246081.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Triphenylene-TCNQF4
Formula	C30 H12 F4 N4
Calculated formula	C30 H12 F4 N4
Title of publication	The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)
Authors of publication	Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	5
Pages of publication	828 - 834
a	17.8 ± 0.4 Å
b	17.4 ± 0.3 Å
c	9.2 ± 0.18 Å
α	90°
β	130.3 ± 0.5°
γ	90°
Cell volume	2173 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.4199
Residual factor for significantly intense reflections	0.3533
Weighted residual factors for significantly intense reflections	0.5815
Weighted residual factors for all reflections included in the refinement	0.6369
Goodness-of-fit parameter for all reflections included in the refinement	2.461
Diffraction radiation wavelength	0.0335 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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