Crystallography Open Database

Information card for entry 2241062

Preview

Structure parameters

Chemical name	Di-μ-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II))
Formula	C36 H30 Cl4 Hg2 N6
Calculated formula	C36 H30 Cl4 Hg2 N6
SMILES	Cl[Hg]1([n]2ccccc2C=[N]1c1ccc(Nc2ccccc2)cc1)Cl
Title of publication	Crystal structure of di-μ-chlorido-bis(chlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(pyridin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II))
Authors of publication	Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	9
Pages of publication	m175 - m176
a	11.7507 ± 0.0014 Å
b	8.9026 ± 0.0011 Å
c	17.05 ± 0.002 Å
α	90°
β	90.194 ± 0.008°
γ	90°
Cell volume	1783.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1084
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
181911 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10.	2241062.cif 2241062.hkl
153799	2015-08-30	cif/ hkl/ Adding structures of 2241062 via cif-deposit CGI script.	2241062.cif 2241062.hkl