Crystallography Open Database

Information card for entry 2202355

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Structure parameters

Chemical name	Hexa-aqua-cobalt(II) (μ~2~-triethylenetetra-aminehexa-acetato)- diaqua-dicobalt(II) tetrahydrate
Formula	C18 H48 Co3 N4 O24
Calculated formula	C18 H48 Co3 N4 O24
SMILES	C1C(=O)O[Co]234([N]1(CC(=O)O3)CC[N]2(CC[N]12CC(=O)O[Co]352([N](CC(=O)O3)(CC(=O)O5)CC1)[OH2])CC(=O)O4)[OH2].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O
Title of publication	Hexaaquacobalt(II) (μ~2~-triethylenetetraminehexaacetato)diaquadicobalt(II) tetrahydrate
Authors of publication	Li-Jun Song; Jie Zhang; Zi-Rong Tang; Wen-Guo Wang; Zhan-Feng Ju
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	10
Pages of publication	m867 - m869
a	7.3671 ± 0.0002 Å
b	8.6295 ± 0.0004 Å
c	15.0272 ± 0.0007 Å
α	73.543 ± 0.002°
β	83.409 ± 0.003°
γ	70.465 ± 0.002°
Cell volume	863.26 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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