Information card for entry 7041561

Structure parameters

• Chemical name: [Cp*Yb(OEt2)3][B(C6F5)4]
• Formula: C46 H45 B F20 O3 Yb
• Calculated formula: C46 H45 B F20 O3 Yb
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Yb]2345([O](CC)CC)([O](CC)CC)[O](CC)CC)C)C)C)C.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: A base-free synthetic route to anti-bimetallic lanthanide pentalene complexes.
• Authors of publication: Kilpatrick, Alexander F. R.; Cloke, F Geoffrey N
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5587 - 5597
• a: 12.66 ± 0.003 Å
• b: 28.204 ± 0.006 Å
• c: 13.915 ± 0.003 Å
• α: 90°
• β: 103.12 ± 0.03°
• γ: 90°
• Cell volume: 4839 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No