Information card for entry 2217628

Structure parameters

• Chemical name: Di-μ-hydroxido-κ^4^O:O-μ-trifluoromethanesulfonato-κ^2^O:O'-bis[(5,5'- dimethyl-2,2-bipyridine-κ^2^N,N')(η^5^- pentamethylcyclopentadienyl)ytterbium(III)] tetraphenylborate 5,5'-dimethyl-2,2-bipyridine
• Formula: C81 H88 B F3 N6 O5 S Yb2
• Calculated formula: C81 H88 B F3 N6 O5 S Yb2
• SMILES: [Yb]1234567([OH][Yb]89%10%11%12([OH]1)(OS(=[O]2)(=O)C(F)(F)F)([n]1cc(ccc1c1[n]9cc(cc1)C)C)[c]1([c]8([c]%12([c]%11([c]%101C)C)C)C)C)([n]1cc(ccc1c1[n]4cc(cc1)C)C)[c]1([c]5([c]6([c]7([c]31C)C)C)C)C.n1cc(ccc1c1ncc(cc1)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>'-bis[(5,5'-dimethyl-2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)ytterbium(III)] tetraphenylborate 5,5'-dimethyl-2,2-bipyridine
• Authors of publication: Daniel Kazhdan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m435 - m435
• a: 13.0458 ± 0.0008 Å
• b: 13.7179 ± 0.0009 Å
• c: 23.3306 ± 0.0015 Å
• α: 87.215 ± 0.001°
• β: 86.669 ± 0.001°
• γ: 68.161 ± 0.001°
• Cell volume: 3867.4 ± 0.4 ų
• Cell temperature: 130 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.385
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No