Crystallography Open Database

Information card for entry 1570839

Preview

Coordinates	1570839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 Cd Cl2 N3 O0
Calculated formula	C6 H11 Cd Cl2 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	8.9307 ± 0.0003 Å
b	7.6716 ± 0.0002 Å
c	14.0159 ± 0.0004 Å
α	90°
β	92.145 ± 0.003°
γ	90°
Cell volume	959.6 ± 0.05 Å³
Cell temperature	99.97 ± 0.15 K
Ambient diffraction temperature	99.97 ± 0.15 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	0.0615
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	1570839.cif
289213	2024-01-31	cif/ Adding structures of 1570834, 1570835, 1570836, 1570837, 1570838, 1570839 via cif-deposit CGI script.	1570839.cif