Crystallography Open Database

Information card for entry 7220930

7220929 << 7220930 >> 7220931

Preview

Coordinates	7220930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H40 N12 O12 Zn3
Calculated formula	C60 H43 N12 O12 Zn3
Title of publication	Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution
Authors of publication	Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	31
Pages of publication	6037
a	13.9914 ± 0.0002 Å
b	20.2561 ± 0.0004 Å
c	23.3703 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6623.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	27
Hermann-Mauguin space group symbol	P c c 2
Hall space group symbol	P 2 -2c
Residual factor for all reflections	0.1478
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.2794
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220930.cif
153107	2015-08-08	cif/ Updating files of 7220928, 7220929, 7220930 Original log message: Adding full bibliography for 7220928--7220930.cif.	7220930.cif
139834	2015-07-01	cif/ Adding structures of 7220928, 7220929, 7220930 via cif-deposit CGI script.	7220930.cif