Crystallography Open Database

Information card for entry 2206824

2206823 << 2206824 >> 2206825

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Structure parameters

Chemical name	Hexakis(μ~2~-4-amino-4H-1,2,4-triazole)hexachlorotricadmium(II)
Formula	C12 H24 Cd3 Cl6 N24
Calculated formula	C12 H24 Cd3 Cl6 N24
SMILES	[Cd]12([n]3cn(c[n]3[Cd]34([n]5cn(c[n]15)N)([n]1cn(c[n]21)N)[n]1cn(c[n]1[Cd]([n]1cn(c[n]31)N)([n]1cn(c[n]41)N)(Cl)(Cl)Cl)N)N)(Cl)(Cl)Cl
Title of publication	Hexakis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole)hexachlorotricadmium(II)
Authors of publication	Xuan-Wen, Liu
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1777 - m1778
a	13.032 ± 0.004 Å
b	13.032 ± 0.004 Å
c	17.558 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	2582.4 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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