Crystallography Open Database

Information card for entry 1567193

Preview

Coordinates	1567193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H44 N6 O16 S3 Zr3
Calculated formula	C84 H44 N6 O16 S3 Zr3
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	39.2392 ± 0.0005 Å
b	39.2392 ± 0.0005 Å
c	39.2392 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	60417.2 ± 1.3 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 K
Number of distinct elements	6
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1567193.cif
276409	2022-06-30	cif/ Adding structures of 1567192, 1567193, 1567194, 1567195, 1567196, 1567197 via cif-deposit CGI script.	1567193.cif