Crystallography Open Database

Information card for entry 7209322

7209321 << 7209322 >> 7209323

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Structure parameters

Formula	C5 H4 Cd N10
Calculated formula	C5 H4 Cd N10
Title of publication	Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine
Authors of publication	Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Pages of publication	3038 - 3045
a	3.6149 ± 0.0002 Å
b	11.4499 ± 0.0007 Å
c	12.1649 ± 0.0008 Å
α	70.789 ± 0.001°
β	82.385 ± 0.001°
γ	86.674 ± 0.001°
Cell volume	471.22 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0461
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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