Crystallography Open Database

Information card for entry 4343894

Preview

Coordinates	4343894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 Cd N7 O4
Calculated formula	C23 H16 Cd N7 O4
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	23.614 ± 0.003 Å
b	13.7299 ± 0.0015 Å
c	20.772 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6734.7 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	4343894.cif
152805	2015-08-05	cif/ Updating files of 4343893, 4343894 Original log message: Adding full bibliography for 4343893--4343894.cif.	4343894.cif
151475	2015-07-14	cif/ Adding structures of 4343894 via cif-deposit CGI script.	4343894.cif