Information card for entry 4075669

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 ų
• 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 Fobs: No