Crystallography Open Database

Information card for entry 2206828

2206827 << 2206828 >> 2206829

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Coordinates	2206828.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate
Formula	C14 H20 Cl4 Co N8 O
Calculated formula	C14 H20 Cl4 Co N8 O
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].n1c[nH+]c2nc(C)cc(C)n12.n1c[nH+]c2nc(C)cc(C)n12.O
Title of publication	5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate
Authors of publication	Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.; Sánchez, M. Purificación
Journal of publication	Acta Crystallographica, Section E: Structure Reports Online
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1721 - m1723
a	7.6369 ± 0.0004 Å
b	8.519 ± 0.0004 Å
c	18.2777 ± 0.0009 Å
α	84.952 ± 0.001°
β	84.505 ± 0.001°
γ	65.275 ± 0.001°
Cell volume	1073.64 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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