Crystallography Open Database

Information card for entry 1572133

Preview

Coordinates	1572133.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MeBIMZnCl
Formula	C16 H14 Cl2 N4 Zn
Calculated formula	C16 H16 Cl2 N4 Zn
SMILES	[Zn](Cl)(Cl)([n]1c2c([nH]c1C)cccc2)[n]1c2c([nH]c1C)cccc2
Title of publication	The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.
Authors of publication	Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng
Journal of publication	Materials horizons
Year of publication	2024
Journal volume	11
Journal issue	20
Pages of publication	4951 - 4960
a	12.5588 ± 0.0002 Å
b	9.787 ± 0.0001 Å
c	14.6063 ± 0.0002 Å
α	90°
β	111.748 ± 0.002°
γ	90°
Cell volume	1667.52 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0283
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296723 (current)	2024-12-06	cif/ Updating files of 1572132, 1572133, 1572134 Original log message: Adding full bibliography for 1572132--1572134.cif.	1572133.cif
293432	2024-07-17	cif/ Adding structures of 1572132, 1572133, 1572134 via cif-deposit CGI script.	1572133.cif