Crystallography Open Database

Information card for entry 7230754

Preview

Coordinates	7230754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H48 N14 O34 Zn5
Calculated formula	C72 H48 N14 O34 Zn5
Title of publication	Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity
Authors of publication	Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	27
Pages of publication	3877
a	12.931 ± 0.003 Å
b	27.071 ± 0.005 Å
c	13.699 ± 0.003 Å
α	90°
β	118.15 ± 0.03°
γ	90°
Cell volume	4228 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1529
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	0.872
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228911 (current)	2019-11-17	cif/ Updating files of 7230754, 7230755, 7230756 Original log message: Adding full bibliography for 7230754--7230756.cif.	7230754.cif
208014	2018-05-29	cif/ Adding structures of 7230754, 7230755, 7230756 via cif-deposit CGI script.	7230754.cif