Crystallography Open Database

Information card for entry 2011625

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Structure parameters

Common name	[Cd(phen)(tren)](NO~3~)~2~(H~2~O)
Chemical name	(1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate
Formula	C18 H28 Cd N8 O7
Calculated formula	C18 H28 Cd N8 O7
SMILES	[Cd]1234([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)[n]1cccc2ccc3c(c12)[n]4ccc3.N(=O)(=O)[O-].N(=O)(=O)[O-].O
Title of publication	A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate
Authors of publication	Zhang, Hao; Cai, Jiwen; Yang, Guang; Xue, Gen-Qiang; Ji, Liang-Nian
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	12
Pages of publication	e562 - e563
a	11.385 ± 0.002 Å
b	9.951 ± 0.002 Å
c	20.745 ± 0.004 Å
α	90°
β	92.72 ± 0.03°
γ	90°
Cell volume	2347.6 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.03
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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