Information card for entry 4110631

Structure parameters

• Formula: C36 H41 F3 N3 O3 S Yb
• Calculated formula: C36 H41 F3 N3 O3 S Yb
• SMILES: [Yb]123456789%10([n]%11ccccc%11c%11cccc([n]1%11)c1cccc[n]31)([c]1([c]%10([c]5([c]4([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Ytterbocene Charge-Transfer Molecular Wire Complexes
• Authors of publication: Christin N. Carlson; Christopher J. Kuehl; Ryan E. Da Re; Jacqueline M. Veauthier; Eric J. Schelter; Ashley E. Milligan; Brian L. Scott; Eric D. Bauer; J. D. Thompson; David E. Morris; Kevin D. John
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 7230 - 7241
• a: 11.36 ± 0.003 Å
• b: 15.544 ± 0.003 Å
• c: 19.137 ± 0.004 Å
• α: 90°
• β: 93.107 ± 0.004°
• γ: 90°
• Cell volume: 3374.2 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No