Crystallography Open Database

Information card for entry 2204212

2204211 << 2204212 >> 2204213

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Coordinates	2204212.cif
Structure factors	2204212.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	heptaaqua-1κ^3^O,2κ^2^O,3κ^2^O-(μ~3~-2,6- bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolato- 1κO;2κ^4^O,O',N,O^1^;3κ^4^O^1^,N',O'',O''')dizinc(II)sodium(I) pentahydrate
Formula	C16 H38 Cl N2 Na O21 Zn2
Calculated formula	C16 H38 Cl N2 Na O21 Zn2
SMILES	[Zn]12([N]3(Cc4cc(Cl)cc5c4[O]1[Zn]14([N](C5)(CC(=O)O1)CC(=O)O4)([OH2])[OH2])CC(=O)O2)([O](C(=O)C3)[Na]([OH2])([OH2])[OH2])([OH2])[OH2].O.O.O.O.O
Title of publication	An Na‒O‒Zn‒O‒Zn bridging complex of Cl-HXTA, where Cl-HXTA is 2,6-bis{[bis(carboxylatomethyl)amino]methyl}-4-chlorophenolate
Authors of publication	Gao, Fei; Meng, Bian-Hong; Zhu, Miao-Li
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	m1225 - m1227
a	10.281 ± 0.009 Å
b	11.733 ± 0.01 Å
c	13.974 ± 0.012 Å
α	95.781 ± 0.011°
β	109.593 ± 0.011°
γ	103.043 ± 0.011°
Cell volume	1518 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.139
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.1811
Weighted residual factors for all reflections included in the refinement	0.1988
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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