Crystallography Open Database

Information card for entry 7241526

Preview

Coordinates	7241526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Br10 N4 Pb3
Calculated formula	C12 H36 Br10 N4 Pb3
Title of publication	Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties
Authors of publication	Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	292 - 298
a	11.3799 ± 0.0008 Å
b	14.9895 ± 0.0011 Å
c	11.4899 ± 0.0008 Å
α	90°
β	116.744 ± 0.0008°
γ	90°
Cell volume	1750.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	0.9785
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
261614 (current)	2021-02-05	cif/ Updating files of 7241525, 7241526, 7241527 Original log message: Adding full bibliography for 7241525--7241527.cif.	7241526.cif
259305	2020-11-29	cif/ Adding structures of 7241525, 7241526, 7241527 via cif-deposit CGI script.	7241526.cif