Crystallography Open Database

Information card for entry 4504104

Preview

Coordinates	4504104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Hg3I6(F1)2]-2DMF
Formula	C36 H38 Hg3 I6 N14 O2
Calculated formula	C36 H38 Hg3 I6 N14 O2
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	21.676 ± 0.017 Å
b	15.86 ± 0.011 Å
c	18.097 ± 0.012 Å
α	90°
β	121.5 ± 0.02°
γ	90°
Cell volume	5305 ± 7 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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 all reflections	0.0625
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0397
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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.	4504104.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504104.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.	4504104.cif