Crystallography Open Database

Information card for entry 7209327

7209326 << 7209327 >> 7209328

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Structure parameters

Formula	C24 H20 N20 Ni2 O2 S4
Calculated formula	C24 H20 N20 Ni2 O2 S4
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	12.3178 ± 0.0008 Å
b	12.8907 ± 0.0008 Å
c	12.1015 ± 0.0008 Å
α	90°
β	115.818 ± 0.001°
γ	90°
Cell volume	1729.73 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0751
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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