Crystallography Open Database

Information card for entry 7055640

Preview

Coordinates	7055640.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hydrogen bis(9-carboxy-10-methylacridinium) trifluoromethanesulfonate
Formula	C31 H23 F3 N2 O7 S
Calculated formula	C31 H23 F3 N2 O7 S
Title of publication	Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems
Authors of publication	Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7359
a	8.2989 ± 0.0009 Å
b	9.0995 ± 0.001 Å
c	9.8014 ± 0.0009 Å
α	72.396 ± 0.009°
β	77.357 ± 0.008°
γ	78.795 ± 0.009°
Cell volume	681.83 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
186461 (current)	2016-09-10	cif/ Updating files of 7055639, 7055640, 7055641 Original log message: Adding full bibliography for 7055639--7055641.cif.	7055640.cif
183663	2016-06-17	cif/ Adding structures of 7055639, 7055640, 7055641 via cif-deposit CGI script.	7055640.cif