Crystallography Open Database

Information card for entry 7013072

Preview

Coordinates	7013072.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(o-C6F4Hg)3-1,3,5(CH3)3(C6H3)
Formula	C27 H12 F12 Hg3
Calculated formula	C27 H12 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.c1c(cc(cc1C)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	16.453 ± 0.003 Å
b	7.378 ± 0.0015 Å
c	22.03 ± 0.004 Å
α	90°
β	96.43 ± 0.03°
γ	90°
Cell volume	2657.4 ± 0.9 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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