Crystallography Open Database

Information card for entry 7209324

7209323 << 7209324 >> 7209325

Preview

Coordinates	7209324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cd N10 S2
Calculated formula	C12 H8 Cd N10 S2
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	8.3799 ± 0.0019 Å
b	19.526 ± 0.004 Å
c	10.357 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1694.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180424 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/93.	7209324.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7209324.cif
82106	2013-04-23	cif/ Adding structures of 7209324 via cif-deposit CGI script.	7209324.cif