Information card for entry 4075287

Structure parameters

• Common name: Ph(CC)3Ph-[(o-C6F4Hg)3]
• Formula: C36 H10 F12 Hg3
• Calculated formula: C36 H10 F12 Hg3
• SMILES: c12c([Hg]c3c(c(F)c(c(c3[Hg]c3c(F)c(F)c(F)c(F)c3[Hg]1)F)F)F)c(c(c(c2F)F)F)F.c1(ccccc1)C#CC#CC#Cc1ccccc1
• Title of publication: Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3
• Authors of publication: Taylor, Thomas J.; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2143
• a: 12.36 ± 0.003 Å
• b: 30.321 ± 0.006 Å
• c: 9.0688 ± 0.0018 Å
• α: 90°
• β: 108.43 ± 0.03°
• γ: 90°
• Cell volume: 3224.4 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No