Crystallography Open Database

Information card for entry 4003644

Preview

Coordinates	4003644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Cl2.667 N12 Zn3.267
Calculated formula	C24 H16 Cl2.66667 N12 Zn3.26667
Title of publication	Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework
Authors of publication	Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	16
Pages of publication	6998 - 7004
a	10.009 ± 0.004 Å
b	16.663 ± 0.008 Å
c	14.61 ± 0.006 Å
α	90°
β	106.65 ± 0.03°
γ	90°
Cell volume	2334.5 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.232
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	1.0994
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257101 (current)	2020-10-04	cif/ Updating files of 4003644 Original log message: Adding full bibliography for 4003644.cif.	4003644.cif
255866	2020-09-04	cif/ Updating files of 4003644 Original log message: Adding full bibliography for 4003644.cif.	4003644.cif
254838	2020-08-06	cif/ Adding structures of 4003644 via cif-deposit CGI script.	4003644.cif