Crystallography Open Database

Information card for entry 7042401

Preview

Coordinates	7042401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H21 Br8 Cd N3
Calculated formula	C1.09091 H3.81818 Br1.45455 Cd0.181818 N0.545455
Title of publication	High-temperature structural phase transition coupled with dielectric switching in an organic-inorganic hybrid crystal: [NH3(CH2)2Br]3CdBr5.
Authors of publication	Chen, Hai-Peng; Wang, Zhong-Xia; Chen, Cheng; Lu, Yang; Yin, Zi; Sun, Xiao-Fen; Fu, Da-Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4711 - 4716
a	23.92 ± 0.04 Å
b	7.927 ± 0.009 Å
c	23.6 ± 0.03 Å
α	90°
β	102.41 ± 0.02°
γ	90°
Cell volume	4370 ± 10 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
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	0.1177
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1838
Weighted residual factors for all reflections included in the refinement	0.2222
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196444 (current)	2017-05-06	cif/ Updating files of 7042400, 7042401 Original log message: Adding full bibliography for 7042400--7042401.cif.	7042401.cif
194147	2017-03-10	cif/ Adding structures of 7042400, 7042401 via cif-deposit CGI script.	7042401.cif