Crystallography Open Database

Information card for entry 7037577

Preview

Coordinates	7037577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 Br4 N2 Pb
Calculated formula	C8 H24 Br4 N2 Pb
Title of publication	Sequential structural transitions with distinct dielectric responses in a layered perovskite organic-inorganic hybrid material: [C4H9N]2[PbBr4].
Authors of publication	Wang, Zhong-Xia; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20406 - 20412
a	28.12 ± 0.03 Å
b	8.312 ± 0.008 Å
c	8.309 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1942 ± 3 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
206165 (current)	2018-02-04	cif/ Updating space group information in entries 2001632, 2002043, 2205693, 2210884, 2241207, 2241323, 2241362, 7036763, 7037291, 7037577, 7100674, 7118554, 7118555, 7118556, 7118557.	7037577.cif
170875	2015-12-07	cif/ Adding structures of 7037576, 7037577 via cif-deposit CGI script.	7037577.cif