Crystallography Open Database

Information card for entry 1509262

Preview

Coordinates	1509262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Hg N8 O6 S4
Calculated formula	C24 H30 Hg N8 O6 S4
Title of publication	Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)
Authors of publication	Angel García-Raso; Juan J. Fiol; G. Martorell; Adela López-Zafra; Miguel Quirós
Journal of publication	Polyhedron
Year of publication	1997
Journal volume	16
Pages of publication	613 - 621
a	20.537 ± 0.007 Å
b	8.653 ± 0.003 Å
c	18.846 ± 0.006 Å
α	90°
β	106.68 ± 0.02°
γ	90°
Cell volume	3208.1 ± 1.9 Å³
Cell temperature	298 ± 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 all reflections	0.0527
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1509262.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1509262.cif
82154	2013-04-29	cif/ Adding structures of 1509262 via cif-deposit CGI script.	1509262.cif