Crystallography Open Database

Information card for entry 1559447

Preview

Coordinates	1559447.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hexakis(pyridine)mercury(II) Trifluoromethanesulfonate, [Hg(NC5H5)6](CF3SO3)2
Formula	C32 H30 F6 Hg N6 O6 S2
Calculated formula	C32 F6 Hg N6 O6 S2
SMILES	[Hg]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Crystal and Molecular Structure at 298 and 183 K of Hexakis(pyridine)mercury(II) Trifluoromethanesulfonate, [Hg(NC5H5)6](CF3SO3)2, and Thermal Analyses of Hexapyridine Solvates of Mercury(II)
Authors of publication	Akesson, Ralf; Sandstrom, Magnus; Stalhandske, Claes; Persson, Ingmar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1991
Journal volume	45
Pages of publication	165 - 171
a	10.98 ± 0.004 Å
b	11.206 ± 0.006 Å
c	17.736 ± 0.007 Å
α	85.1 ± 0.04°
β	89.08 ± 0.03°
γ	60.57 ± 0.03°
Cell volume	1892.9 ± 1.5 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258682 (current)	2020-11-03	cif/ Adding structures of 1559447 via cif-deposit CGI script.	1559447.cif