Information card for entry 4110629

Structure parameters

• Formula: C91 H102 B Cl6 N6 Yb2
• Calculated formula: C89.25 H96 B Cl2.5 N6 Yb2
• 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: 35.218 ± 0.011 Å
• b: 14.702 ± 0.005 Å
• c: 37.941 ± 0.011 Å
• α: 90°
• β: 114.365 ± 0.005°
• γ: 90°
• Cell volume: 17895 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 2.507
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No