Crystallography Open Database

Information card for entry 7058327

Preview

Coordinates	7058327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 F4 O2
Calculated formula	C16 H14 F4 O2
Title of publication	Charge transfer complexes as colour changing and disappearing‒reappearing colour materials
Authors of publication	Sharada, Durgam; Saha, Arijit; Saha, Binoy K.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	20
Pages of publication	7562
a	6.6907 ± 0.0006 Å
b	6.9985 ± 0.0007 Å
c	8.7933 ± 0.0008 Å
α	110.856 ± 0.009°
β	105.889 ± 0.008°
γ	96.533 ± 0.008°
Cell volume	359.7 ± 0.07 Å³
Cell temperature	262 ± 2 K
Ambient diffraction temperature	262 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224861 (current)	2019-11-08	cif/ Updating files of 7058327, 7058328, 7058329, 7058330, 7058331 Original log message: Adding full bibliography for 7058327--7058331.cif.	7058327.cif
214760	2019-04-25	cif/ Adding structures of 7058327, 7058328, 7058329, 7058330, 7058331 via cif-deposit CGI script.	7058327.cif