Crystallography Open Database

Information card for entry 2311527

Preview

Coordinates	2311527.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ^2^<i>N</i>:<i>N</i>']
Formula	C12 H12 Cl2 Hg N2 S
Calculated formula	C12 H12 Cl2 Hg N2 S
Title of publication	A one-dimensional Hg<sup>II</sup> coordination polymer based on bis-(pyridin-3-ylmeth-yl)sulfane.
Authors of publication	Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1871 - 1874
a	10.4724 ± 0.0011 Å
b	13.1128 ± 0.0014 Å
c	10.8914 ± 0.0012 Å
α	90°
β	100.117 ± 0.0018°
γ	90°
Cell volume	1472.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
245958 (current)	2019-12-25	cif/ Adding structures of 2311527 via cif-deposit CGI script.	2311527.cif