Crystallography Open Database

Information card for entry 1567195

Preview

Coordinates	1567195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 N6 S Zn
Calculated formula	C12 H6 N6 S Zn
Title of publication	Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.
Authors of publication	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	27
Pages of publication	8036 - 8044
a	16.549 ± 0.0014 Å
b	16.549 ± 0.0014 Å
c	12.4563 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3411.4 ± 0.5 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Number of distinct elements	5
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1839
Weighted residual factors for all reflections included in the refinement	0.1932
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277100 (current)	2022-08-06	cif/ Updating files of 1567192, 1567193, 1567194, 1567195, 1567196, 1567197 Original log message: Adding full bibliography for 1567192--1567197.cif.	1567195.cif
276409	2022-06-30	cif/ Adding structures of 1567192, 1567193, 1567194, 1567195, 1567196, 1567197 via cif-deposit CGI script.	1567195.cif