Crystallography Open Database

Information card for entry 2241408

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Structure parameters

Chemical name	{Bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)
Formula	C16 H14 Cl2 Hg N4 S
Calculated formula	C16 H14 Cl2 Hg N4 S
SMILES	c12ccccc1[nH]c1CSCc3[n](c4ccccc4[nH]3)[Hg]([n]21)(Cl)Cl
Title of publication	Crystal structure of {bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)
Authors of publication	Bouchouit, Mehdi; Benzerka, Saida; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m253 - m254
a	13.8558 ± 0.0003 Å
b	15.4983 ± 0.0004 Å
c	16.1108 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3459.65 ± 0.14 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241408.cif 2241408.hkl
171500	2015-12-14	cif/ hkl/ Adding structures of 2241408 via cif-deposit CGI script.	2241408.cif 2241408.hkl