Crystallography Open Database

Information card for entry 1567196

Preview

Coordinates	1567196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H64 N16 O17 Se4 Zn4
Calculated formula	C112 H64 N16 O17 Se4 Zn4
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	10.4136 ± 0.0003 Å
b	15.0054 ± 0.0004 Å
c	15.7481 ± 0.0004 Å
α	88.538 ± 0.002°
β	87.931 ± 0.001°
γ	81.423 ± 0.001°
Cell volume	2431.19 ± 0.11 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.1998
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	1567196.cif
276409	2022-06-30	cif/ Adding structures of 1567192, 1567193, 1567194, 1567195, 1567196, 1567197 via cif-deposit CGI script.	1567196.cif