Information card for entry 7115576

Structure parameters

• Formula: C62 H50 O Yb
• Calculated formula: C62 H50 O Yb
• SMILES: [Yb]12345678([cH]9[c]1([c]2([c]3([c]49c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)([O]1CCCC1)[cH]1[c]5([c]6([c]7([c]81c1ccccc1)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: 10.272 ± 0.002 Å
• b: 40.41 ± 0.008 Å
• c: 11.14 ± 0.002 Å
• α: 90°
• β: 105.41 ± 0.03°
• γ: 90°
• Cell volume: 4457.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No