Crystallography Open Database

Information card for entry 1570835

Preview

Coordinates	1570835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Br3 Cd N3 O0
Calculated formula	C6 H12 Br3 Cd N3
Title of publication	A flexible ligand and halogen engineering enable one phosphor-based full-color persistent luminescence in hybrid perovskitoids.
Authors of publication	Xiao, Guowei; Ma, Yu-Juan; Qi, Zhenhong; Fang, Xiaoyu; Chen, Tianhong; Yan, Dongpeng
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	10
Pages of publication	3625 - 3632
a	7.9948 ± 0.0001 Å
b	8.6736 ± 0.0001 Å
c	16.9504 ± 0.0003 Å
α	90°
β	95.696 ± 0.002°
γ	90°
Cell volume	1169.6 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290841 (current)	2024-04-05	cif/ Updating files of 1570834, 1570835, 1570836, 1570837, 1570838, 1570839 Original log message: Adding full bibliography for 1570834--1570839.cif.	1570835.cif
289213	2024-01-31	cif/ Adding structures of 1570834, 1570835, 1570836, 1570837, 1570838, 1570839 via cif-deposit CGI script.	1570835.cif