Crystallography Open Database

Information card for entry 2203048

2203047 << 2203048 >> 2203049

Preview

Structure parameters

Chemical name	Tetraaquabis(4-carboxyphenoxyacetato)magnesium(II)
Formula	C18 H22 Mg O14
Calculated formula	C18 H22 Mg O14
SMILES	C(O[Mg]([OH2])([OH2])(OC(=O)COc1ccc(cc1)C(=O)O)([OH2])[OH2])(COc1ccc(cc1)C(=O)O)=O
Title of publication	Tetraaquabis(4-carboxyphenoxyacetato)magnesium(II)
Authors of publication	Shan Gao; Jian-Rong Li; Li-Hua Huo; Ji-Wei Liu; Chang-Sheng Gu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	1
Pages of publication	m100 - m101
a	4.922 ± 0.001 Å
b	5.755 ± 0.001 Å
c	18.432 ± 0.004 Å
α	94.13 ± 0.03°
β	91.95 ± 0.03°
γ	96.13 ± 0.03°
Cell volume	517.32 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2203048.html