Crystallography Open Database

Information card for entry 7232449

Preview

Coordinates	7232449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H60 N16 O14 Zn2
Calculated formula	C61 H60 N16 O14 Zn2
Title of publication	Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic
Authors of publication	Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	15
Pages of publication	2559
a	8.2598 ± 0.0006 Å
b	13.977 ± 0.0011 Å
c	30.125 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3477.8 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
223681 (current)	2019-11-07	cif/ Updating files of 7232449, 7232450 Original log message: Adding full bibliography for 7232449--7232450.cif.	7232449.cif
213907	2019-03-01	cif/ Adding structures of 7232449, 7232450 via cif-deposit CGI script.	7232449.cif