Crystallography Open Database

Information card for entry 2238873

Preview

Coordinates	2238873.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2-{[4-(Chloridomercuryl)phenyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II) dimethyl sulfoxide monosolvate
Formula	C14 H15 Cl Hg2 I2 N2 O S
Calculated formula	C14 H15 Cl Hg2 I2 N2 O S
SMILES	[Hg]1(I)(I)[n]2ccccc2C=[N]1c1ccc([Hg]Cl)cc1.S(=O)(C)C
Title of publication	(2-{[4-(Chloridomercuryl)phenyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II) dimethyl sulfoxide monosolvate
Authors of publication	Basu Baul, Tushar S.; Longkumer, Imliwati; Ng, Seik Weng; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m633 - m634
a	8.5795 ± 0.0006 Å
b	9.8373 ± 0.0007 Å
c	13.6999 ± 0.0008 Å
α	70.03 ± 0.006°
β	76.779 ± 0.005°
γ	79.362 ± 0.006°
Cell volume	1050.74 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238873.cif
92195	2014-01-12	cif/ Adding structures of 2238873 via cif-deposit CGI script.	2238873.cif