Crystallography Open Database

Information card for entry 7224663

Preview

Coordinates	7224663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cl4.49 N1.5 O3
Calculated formula	C24 H24 Cl4.4935 N1.5 O3
Title of publication	Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material
Authors of publication	Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	3606
a	28.2714 ± 0.0003 Å
b	17.9408 ± 0.0002 Å
c	10.2446 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5196.18 ± 0.09 Å³
Cell temperature	315 ± 2 K
Ambient diffraction temperature	315 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.2158
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
185234 (current)	2016-08-07	cif/ Updating files of 7224662, 7224663, 7224664, 7224665 Original log message: Adding full bibliography for 7224662--7224665.cif.	7224663.cif
178857	2016-03-22	cif/ Adding structures of 7224662, 7224663, 7224664, 7224665 via cif-deposit CGI script.	7224663.cif