Crystallography Open Database

Information card for entry 1575924

Preview

Coordinates	1575924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Br4 Cl2 N2 Pb
Calculated formula	C6 H18 Br4 Cl2 N2 Pb
Title of publication	Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.
Authors of publication	He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	44
Pages of publication	20948 - 20958
a	8.3957 ± 0.0005 Å
b	8.2101 ± 0.0005 Å
c	27.289 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1881 ± 0.2 Å³
Cell temperature	375 ± 2 K
Ambient diffraction temperature	375 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.194
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
303597 (current)	2025-11-29	cif/ Updating files of 1575922, 1575923, 1575924 Original log message: Adding full bibliography for 1575922--1575924.cif.	1575924.cif
302339	2025-10-03	cif/ Adding structures of 1575922, 1575923, 1575924 via cif-deposit CGI script.	1575924.cif