Crystallography Open Database

Information card for entry 7013069

Preview

Structure parameters

Common name	(o-C6F4Hg)3-1,2(CH3)2(C6H4)
Formula	C26 H10 F12 Hg3
Calculated formula	C26 H10 F12 Hg3
SMILES	[Hg]1c2c([Hg]c3c([Hg]c4c1c(F)c(F)c(F)c4F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F.c1(c(cccc1)C)C
Title of publication	Methyl substituted benzene adducts of trimeric perfluoro-o-phenylene mercury
Authors of publication	Mason R. Haneline; Julie B. King; François P. Gabbaï
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	13
Pages of publication	2686 - 2690
a	20.05 ± 0.004 Å
b	6.8569 ± 0.0014 Å
c	20.158 ± 0.004 Å
α	90°
β	115.23 ± 0.03°
γ	90°
Cell volume	2507 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7013069.html