Crystallography Open Database

Information card for entry 7240455

Preview

Coordinates	7240455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Bi2 Cl10 N4
Calculated formula	C24 H56 Bi2 Cl10 N4
Title of publication	Exploring a lead-free organic‒inorganic semiconducting hybrid with above-room-temperature dielectric phase transition
Authors of publication	Wang, Yuyin; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Sun, Zhihua; Dey, Dhananjay; Li, Yaobin; Luo, Junhua
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	30
Pages of publication	17492 - 17496
a	11.9718 ± 0.0004 Å
b	12.4092 ± 0.0004 Å
c	15.839 ± 0.0006 Å
α	76.474 ± 0.001°
β	69.245 ± 0.001°
γ	89.323 ± 0.001°
Cell volume	2132.77 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
258099 (current)	2020-10-06	cif/ Updating files of 7240454, 7240455 Original log message: Adding full bibliography for 7240454--7240455.cif.	7240455.cif
251805	2020-05-06	cif/ Adding structures of 7240454, 7240455 via cif-deposit CGI script.	7240455.cif