Crystallography Open Database

Information card for entry 2020095

2020094 << 2020095 >> 2020096

Preview

Coordinates	2020095.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]
Formula	C26 H32 Cd2 N2 O17
Calculated formula	C26 H32 Cd2 N2 O17
Title of publication	A two-dimensional cadmium(II) coordination polymer based on 5-(pyridin-4-yl)isophthalic acid: poly[[tetraaquabis[μ~3~-5-(pyridin-4-yl)isophthalato]dicadmium(II)] pentahydrate]
Authors of publication	Liu, Fang; Zhang, Jing-Jing; Lei, Ming-Yuan; Zhang, Qing-Fu
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	9
Pages of publication	834 - 838
a	11.144 Å
b	11.599 Å
c	13.529 Å
α	104.05°
β	97.18°
γ	108.05°
Cell volume	1574.49 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.162
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	2020095.cif
153742	2015-08-28	cif/ hkl/ Adding structures of 2020095 via cif-deposit CGI script.	2020095.cif