Crystallography Open Database

Information card for entry 4504107

Preview

Coordinates	4504107.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Hg2Cl4(titmb)]
Formula	C21 H24 Cl4 Hg2 N6
Calculated formula	C21 H24 Cl4 Hg2 N6
Title of publication	Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands
Authors of publication	Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	6
Pages of publication	1125
a	28.808 ± 0.012 Å
b	11.585 ± 0.004 Å
c	19.238 ± 0.009 Å
α	90°
β	127.723 ± 0.012°
γ	90°
Cell volume	5078 ± 4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1272
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.1979
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179576 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/41.	4504107.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504107.cif
44920	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504101, 4504102, 4504103, 4504104, 4504105, 4504106, 4504107 via cif-deposit CGI script.	4504107.cif