Crystallography Open Database

Information card for entry 7249974

Preview

Coordinates	7249974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H38 Br10 N6 O Pb2
Calculated formula	C12 H38 Br10 N6 O Pb2
Title of publication	Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations
Authors of publication	Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	13
Pages of publication	1997 - 2003
a	13.8538 ± 0.0003 Å
b	17.5673 ± 0.0004 Å
c	13.8398 ± 0.0003 Å
α	90°
β	96.191 ± 0.002°
γ	90°
Cell volume	3348.6 ± 0.13 Å³
Cell temperature	299.8 ± 0.1 K
Ambient diffraction temperature	299.8 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
298836 (current)	2025-04-05	cif/ Updating files of 7249974, 7249975 Original log message: Adding full bibliography for 7249974--7249975.cif.	7249974.cif
297777	2025-02-20	cif/ Adding structures of 7249974, 7249975 via cif-deposit CGI script.	7249974.cif