Crystallography Open Database

Information card for entry 7204604

7204603 << 7204604 >> 7204605

Preview

Coordinates	7204604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 Hg N4 O11 S2
Calculated formula	C30 H44 Hg N4 O11 S2
SMILES	[Hg]1=C2N(C=CN2CCOCCOCCOCCN2C=1N(C=C2)C)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.O.O
Title of publication	Mercury(ii) partitioning from aqueous solutions with a new, hydrophobic ethylene-glycol functionalized bis-imidazolium ionic liquidThis work was presented at the Green Solvents for Catalysis Meeting held in Bruchsal, Germany, 13‒16th October 2002.
Authors of publication	Holbrey, John D.; Visser, Ann E.; Spear, Scott K.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Rogers, Robin D.
Journal of publication	Green Chemistry
Year of publication	2003
Journal volume	5
Journal issue	2
Pages of publication	129
a	10.086 ± 0.003 Å
b	12.459 ± 0.003 Å
c	15.204 ± 0.004 Å
α	83.209 ± 0.004°
β	84.16 ± 0.004°
γ	67.666 ± 0.005°
Cell volume	1751.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180377 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46.	7204604.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204604.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204604.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7204604.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7204604.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204604.cif