Information card for entry 7115575

Structure parameters

• Formula: C74 H74 F2 O4 Yb2
• Calculated formula: C74 H74 F2 O4 Yb2
• SMILES: [cH]12[c]3([c]4([c]5([c]1(c1ccccc1)[Yb]12345([F][Yb]2345([cH]6[c]2([c]3([c]4([c]56c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)([F]1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A divalent heteroleptic lanthanoid fluoride complex stabilised by the tetraphenylcyclopentadienyl ligand, arising from C-F activation of pentafluorobenzene
• Authors of publication: G. B. Deacon; F. Jaroschik; P. C. Junk; R. P. Kelly
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10655
• a: 12.994 ± 0.0004 Å
• b: 12.4469 ± 0.0004 Å
• c: 18.4353 ± 0.0006 Å
• α: 90°
• β: 95.132 ± 0.002°
• γ: 90°
• Cell volume: 2969.68 ± 0.16 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No