Crystallography Open Database

Information card for entry 1511773

Preview

Coordinates	1511773.cif

Structure parameters

Chemical name	bis(Dichloro-4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine- mercury) 4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine monohydrate
Formula	C18 H20 Cl4 Hg2 N12 O4
Calculated formula	C18 Cl4 Hg2 N12 O4
Title of publication	Mercury(II) Complexes of 4,7-Dihydro-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine. Stabilization of Two Chemically Different Metal Coordination Environments by Hydrogen Bonding Assembly
Authors of publication	Juan M. Salas; Jorge A.R. Navarro; M. Angustias Romero; Miguel Quirós
Journal of publication	Anales de Química, International Edition
Year of publication	1997
Journal volume	93
Pages of publication	55 - 59
a	3.996 ± 0.001 Å
b	23.193 ± 0.005 Å
c	29.483 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2732.5 ± 1.1 Å³
Ambient diffraction temperature	292 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.281
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	1511773.cif
85299	2013-05-06	cif/ Adding structures of 1511773 via cif-deposit CGI script.	1511773.cif