Crystallography Open Database

Information card for entry 1510616

Preview

Coordinates	1510616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cd N4 O6 S
Calculated formula	C7 H12 Cd N4 O6 S
Title of publication	A New Example of μ-3-Sulfato Coordination in a Cd(II) Complex of 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine (dmtp). Characterisation and Biological Activity of Several Metal Complexes of dmtp Containing the Sulfato Anion
Authors of publication	Abderrahman Rahmani; M. Angustias Romero; Juan M. Salas; Miguel Quirós; Gerardo Álvarez de Cienfuegos
Journal of publication	Inorganica Chimica Acta
Year of publication	1996
Journal volume	247
Pages of publication	51 - 55
a	24.652 ± 0.006 Å
b	8.269 ± 0.002 Å
c	13.319 ± 0.003 Å
α	90°
β	116.15 ± 0.02°
γ	90°
Cell volume	2437.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	0.58
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1510616.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1510616.cif
83851	2013-05-02	cif/ Adding structures of 1510616 via cif-deposit CGI script.	1510616.cif