Crystallography Open Database

Information card for entry 4075669

Preview

Coordinates	4075669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H4 F24 Hg6 O2
Calculated formula	C42 H4 F24 Hg6 O2
SMILES	c12c(F)c(F)c(c(c2[Hg]c2c([Hg]c3c(c(c(c(c3F)F)F)F)[Hg]1)c(F)c(c(c2F)F)F)F)F.O=C1C=CC(=O)C=C1.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(F)c(c(c1F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2
Title of publication	Binding of Dienophiles by Macrocyclic Multidentate Lewis Acids. Synthesis and X-ray Crystal Structure Determination of Unusual Complexes of Cyclic Trimeric Perfluoro-o-phenylenemercury withp-Benzoquinone and Maleic Anhydride
Authors of publication	Tikhonova, Irina A.; Dolgushin, Fedor M.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Petrovskii, Pavel V.; Furin, Georgy G.; Shur, Vladimir B.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3395
a	9.4166 ± 0.0008 Å
b	10.8851 ± 0.001 Å
c	11.6734 ± 0.001 Å
α	87.828 ± 0.002°
β	76.033 ± 0.002°
γ	65.899 ± 0.002°
Cell volume	1057.45 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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