Crystallography Open Database

Information card for entry 7239879

Preview

Coordinates	7239879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H20 O16 Zn3
Calculated formula	C44 H20 O16 Zn3
Title of publication	Aqueous-phase detection of antibiotics and nitroaromatic explosives by an alkali-resistant Zn-MOF directed by an ionic liquid
Authors of publication	Qin, Jian-Hua; Huang, Ya-Dan; Shi, Ming-Yu; Wang, Hua-Rui; Han, Min-Le; Yang, Xiao-Gang; Li, Fei-Fei; Ma, Lu-Fang
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	3
Pages of publication	1439 - 1446
a	9.6166 ± 0.0004 Å
b	14.4465 ± 0.0006 Å
c	20.4967 ± 0.001 Å
α	106.767 ± 0.004°
β	98.427 ± 0.004°
γ	101.203 ± 0.004°
Cell volume	2611.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258148 (current)	2020-10-06	cif/ Updating files of 7239879 Original log message: Adding full bibliography for 7239879.cif.	7239879.cif
247563	2020-02-04	cif/ Adding structures of 7239879 via cif-deposit CGI script.	7239879.cif