Crystallography Open Database

Information card for entry 2241409

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Structure parameters

Chemical name	<i>catena</i>-Poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]
Formula	C21 H19 Cl3 Hg N2
Calculated formula	C21 H19 Cl3 Hg N2
SMILES	[Hg]1(Cl)(Cl)(Cl)[Cl][Hg](Cl)[Cl]1.n1(c2ccccc2[n+](c1)Cc1ccccc1)Cc1ccccc1.n1(c2ccccc2[n+](c1)Cc1ccccc1)Cc1ccccc1
Title of publication	Crystal structure of <i>catena</i>-poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]
Authors of publication	Bouchouit, Mehdi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Bahnous, Mebarek
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m255 - m256
a	20.3669 ± 0.0011 Å
b	14.8837 ± 0.0007 Å
c	7.2154 ± 0.0004 Å
α	90°
β	104.372 ± 0.002°
γ	90°
Cell volume	2118.79 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.0786
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	2241409.cif 2241409.hkl
171501	2015-12-14	cif/ hkl/ Adding structures of 2241409 via cif-deposit CGI script.	2241409.cif 2241409.hkl