Crystallography Open Database

Information card for entry 2208150

2208149 << 2208150 >> 2208151

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Structure parameters

Chemical name	Tetraaquabis(2,4-dicarboxybenzoato)zinc(II) dihydrate
Formula	C18 H22 O18 Zn
Calculated formula	C18 H22 O18 Zn
SMILES	c1(c(cc(cc1)C(=O)O)C(=O)O)C(=O)O[Zn]([OH2])([OH2])(OC(=O)c1c(cc(cc1)C(=O)O)C(=O)O)([OH2])[OH2].O.O
Title of publication	Tetraaquabis(2,4-dicarboxybenzoato)zinc(II) dihydrate
Authors of publication	Li, Xin-Fa; Liu, Dong-Sheng; Xu, Ya-Ping; Huang, Chang-Cang; Xu, Jian-Fu
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	2
Pages of publication	m216 - m218
a	12.3211 ± 0.0007 Å
b	12.6398 ± 0.0009 Å
c	7.5043 ± 0.0005 Å
α	90°
β	103.597 ± 0.003°
γ	90°
Cell volume	1135.94 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.058
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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