Crystallography Open Database

Information card for entry 1567192

Preview

Coordinates	1567192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H82 N12 O32 S6 Zr6
Calculated formula	C144 H82 N12 O32 S6 Zr6
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	39.3006 ± 0.0005 Å
b	39.3006 ± 0.0005 Å
c	39.3006 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	60701.2 ± 1.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0608
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	1567192.cif
276409	2022-06-30	cif/ Adding structures of 1567192, 1567193, 1567194, 1567195, 1567196, 1567197 via cif-deposit CGI script.	1567192.cif