Information card for entry 4069873

Structure parameters

• Formula: C30 H27 O2 Yb
• Calculated formula: C30 H27 O2 Yb
• SMILES: [Yb]123456789([O](c%10c(c%11cccc(c%12ccccc%12OC)c9%11)cccc%10)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Flexible Coordination Mode of a Donor-Functionalized Terphenyl Ligand in Monomeric Cp-Based Lanthanocenes
• Authors of publication: Rabe, Gerd W.; Riederer, Florian A.; Zhang-Presse, Mei; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5277
• a: 11.5714 ± 0.0008 Å
• b: 13.3246 ± 0.0009 Å
• c: 15.2776 ± 0.001 Å
• α: 90°
• β: 92.93 ± 0.001°
• γ: 90°
• Cell volume: 2352.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0203
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No