Crystallography Open Database

Information card for entry 2204987

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Structure parameters

Chemical name	catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 3-carboxylatophenoxyacetate monohydrate]
Formula	C19 H24 N2 O10 Zn
Calculated formula	C19 H24 N2 O10 Zn
SMILES	[Zn]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Zn]([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])[OH2].[O-]C(=O)COc1cc(ccc1)C(=O)[O-].O=C([O-])COc1cc(ccc1)C(=O)[O-].O.O
Title of publication	<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-carboxylatophenoxyacetate monohydrate]
Authors of publication	Zhao, Jing-Gui; Gu, Chang-Sheng; Huo, Li-Hua; Liu, Ji-Wei; Gao, Shan
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	1
Pages of publication	m76 - m78
a	9.3049 ± 0.0008 Å
b	11.1595 ± 0.0015 Å
c	11.4248 ± 0.0018 Å
α	108.526 ± 0.005°
β	106.493 ± 0.008°
γ	90.737 ± 0.006°
Cell volume	1071.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.068
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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