Crystallography Open Database

Information card for entry 1546864

Preview

Coordinates	1546864.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[HgI2(IM1)2][Hg2I6]-2H2O
Formula	C52 H66 Hg3 I8 N8 O8
Calculated formula	C52 H60 Hg3 I8 N8 O8
Title of publication	One-pot synthesis of imidazolinium salts via the ring opening of tetrahydrofuran
Authors of publication	Huang, Yong-Qing; Zhao, Yue; Wang, Peng; Okamura, Taka-aki; Laforteza, Brian N.; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	37
Pages of publication	12430 - 12433
a	16.055 ± 0.006 Å
b	20.351 ± 0.009 Å
c	22.103 ± 0.007 Å
α	90°
β	96.976 ± 0.012°
γ	90°
Cell volume	7168 ± 5 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	0.1109
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2039
Weighted residual factors for all reflections included in the refinement	0.2116
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546864.cif
199962	2017-08-26	cif/ Adding structures of 1546864 via cif-deposit CGI script.	1546864.cif