Crystallography Open Database

Information card for entry 4342077

4342076 << 4342077 >> 4342078

Preview

Coordinates	4342077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H120 Cd N2 O21
Calculated formula	C84 H92 Cd O16
Title of publication	Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and Reversible Iodine Uptake of Three Coordination Polymers Constructed by a New Resorcin[4]arene-Based Tetracarboxylate.
Authors of publication	Lv, Li Li; Yang, Jin; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1744 - 1755
a	23.617 ± 0.005 Å
b	16.814 ± 0.005 Å
c	26.617 ± 0.005 Å
α	90 ± 0.005°
β	106.73 ± 0.005°
γ	90 ± 0.005°
Cell volume	10122 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2021
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2079
Weighted residual factors for all reflections included in the refinement	0.2511
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342077.cif
132793	2015-03-04	cif/ Updating files of 4342076, 4342077, 4342078 Original log message: Adding full bibliography for 4342076--4342078.cif.	4342077.cif
129788	2015-01-17	cif/ Adding structures of 4342076, 4342077, 4342078 via cif-deposit CGI script.	4342077.cif