Crystallography Open Database

Information card for entry 2203037

2203036 << 2203037 >> 2203038

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Structure parameters

Chemical name	Tetraaqua[(3-carboxyphenoxy)acetato]nickel(II)
Formula	C18 H22 Ni O14
Calculated formula	C18 H22 Ni O14
SMILES	C(=O)(COc1cccc(c1)C(=O)O)O[Ni](OC(=O)COc1cccc(c1)C(=O)O)([OH2])([OH2])([OH2])[OH2]
Title of publication	Tetraaqua[(3-carboxyphenoxy)acetato]nickel(II)
Authors of publication	Shan Gao; Jian-Rong Li; Ji-Wei Liu; Chang-Sheng Gu; Li-Hua Huo
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	1
Pages of publication	m22 - m23
a	4.9412 ± 0.001 Å
b	5.7963 ± 0.0012 Å
c	18.362 ± 0.004 Å
α	96.94 ± 0.03°
β	94.82 ± 0.03°
γ	97.91 ± 0.03°
Cell volume	514.4 ± 0.2 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	0.0378
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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