Crystallography Open Database

Information card for entry 4504101

Preview

Coordinates	4504101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H15 Hg I2 N4 O0.5
Calculated formula	C14.5 H15 Hg I2 N4 O0.5
SMILES	[Hg](I)(I)[n]1cn(cc1)c1ccc(cc1)Cn1cncc1.OCC
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	25.22 ± 0.02 Å
b	10.017 ± 0.007 Å
c	15.757 ± 0.011 Å
α	90°
β	103.794 ± 0.011°
γ	90°
Cell volume	3866 ± 5 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504101.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504101.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.	4504101.cif