Crystallography Open Database

Information card for entry 2203528

2203527 << 2203528 >> 2203529

Preview

Structure parameters

Chemical name	Hexaaquazinc(II) bis[(4-oxo-4H-pyridine-1-yl)acetate] dihydrate
Formula	C14 H28 N2 O14 Zn
Calculated formula	C14 H28 N2 O14 Zn
SMILES	C(=O)(Cn1ccc(=O)cc1)[O-].[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].O.C(=O)(Cn1ccc(=O)cc1)[O-].O
Title of publication	Hexaaquazinc(II) bis[(4-oxo-4<i>H</i>-pyridin-1-yl)acetate] dihydrate
Authors of publication	Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Hui Zhao; Jing-Gui Zhao
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	m444 - m446
a	12.427 ± 0.003 Å
b	12.833 ± 0.003 Å
c	6.7816 ± 0.0014 Å
α	90°
β	98.62 ± 0.03°
γ	90°
Cell volume	1069.3 ± 0.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.