Information card for entry 4071437

Structure parameters

• Formula: C40 H82 Dy2 O2 Si4
• Calculated formula: C40 H82 Dy2 O2 Si4
• SMILES: C([Dy]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)[Si](C)(C)C)([O]1CCCC1)[H][Dy]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)[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: 9.9249 ± 0.0008 Å
• b: 11.2281 ± 0.0009 Å
• c: 12.7924 ± 0.001 Å
• α: 73.973 ± 0.001°
• β: 85.791 ± 0.002°
• γ: 64.861 ± 0.001°
• Cell volume: 1238.79 ± 0.17 ų
• Cell temperature: 193 ± 1 K
• Ambient diffraction temperature: 193 ± 1 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: 0.0327
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No