Information card for entry 4071436

Structure parameters

• Formula: C40 H82 O2 Si4 Y2
• Calculated formula: C40 H82 O2 Si4 Y2
• SMILES: C([Y]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)[Si](C)(C)C)([H][Y]1234(C[Si](C)(C)C)([c]6([c]1([c]2([c]3([c]46C)C)C)C)[Si](C)(C)C)([H]5)[O]1CCCC1)[O]1CCCC1)[Si](C)(C)C
• Title of publication: Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide
• Authors of publication: Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2428
• a: 9.888 ± 0.002 Å
• b: 11.153 ± 0.003 Å
• c: 12.721 ± 0.003 Å
• α: 73.878 ± 0.003°
• β: 85.735 ± 0.003°
• γ: 64.925 ± 0.003°
• Cell volume: 1219.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No