Information card for entry 4069871

Structure parameters

• Formula: C20 H20 O2 Sm
• Calculated formula: C30 H27 O2 Sm
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Sm]16789%102345([cH]2[cH]1[cH]6[cH]7[cH]82)[O](c1ccccc1c1cccc(c2c(cccc2)[O]9C)c%101)C
• 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: 9.4197 ± 0.0003 Å
• b: 9.4197 ± 0.0003 Å
• c: 26.592 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No