Crystallography Open Database

Information card for entry 4343893

Preview

Coordinates	4343893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 N10 O8 Zn2
Calculated formula	C56 H44 N10 O8 Zn2
Title of publication	Two Amino-Decorated Metal-Organic Frameworks for Highly Selective and Quantitatively Sensing of Hg(II) and Cr(VI) in Aqueous Solution.
Authors of publication	Wen, Lili; Zheng, Xiaofang; Lv, Kangle; Wang, Chenggang; Xu, Xiaoyue
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7133 - 7135
a	19.7872 ± 0.0014 Å
b	18.0304 ± 0.0013 Å
c	7.0829 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2527 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
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.	4343893.cif
152805	2015-08-05	cif/ Updating files of 4343893, 4343894 Original log message: Adding full bibliography for 4343893--4343894.cif.	4343893.cif
151472	2015-07-14	cif/ Adding structures of 4343893 via cif-deposit CGI script.	4343893.cif