Crystallography Open Database

Information card for entry 2311593

Preview

Coordinates	2311593.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[(4-hydroxypyridine-2,6-dicarboxylato)zinc(II)] monohydrate]
Formula	C14 H10 N2 O12 Zn2
Calculated formula	C14 H10 N2 O12 Zn2
Title of publication	Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!
Authors of publication	Kremer, Marius; Englert, Ulli
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2019
Journal volume	75
Journal issue	Pt 6
Pages of publication	903 - 911
a	10.05 ± 0.001 Å
b	10.05 ± 0.001 Å
c	16.506 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1667.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
246005 (current)	2019-12-25	cif/ Adding structures of 2311590, 2311591, 2311592, 2311593, 2311594, 2311595 via cif-deposit CGI script.	2311593.cif