Crystallography Open Database

Information card for entry 2217221

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Structure parameters

Chemical name	Diaquabis(4-methylbenzoato-κO)zinc(II)
Formula	C16 H18 O6 Zn
Calculated formula	C16 H18 O6 Zn
SMILES	C(=O)(c1ccc(cc1)C)O[Zn](OC(=O)c1ccc(cc1)C)([OH2])[OH2]
Title of publication	Diaquabis(4-methylbenzoato-κ<i>O</i>)zinc(II)
Authors of publication	De-Yun Ma; Guo-Hua Deng; Wen-Dong Song
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	1
Pages of publication	m32 - m32
a	26.8432 ± 0.0005 Å
b	5.06 ± 0.0001 Å
c	12.0609 ± 0.0002 Å
α	90°
β	106.806 ± 0.001°
γ	90°
Cell volume	1568.22 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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