Information card for entry 4071441

Structure parameters

• Formula: C58 H90 O10 Si2 Y2
• Calculated formula: C58 H90 O10 Si2 Y2
• SMILES: C1(=[O][Y]2345678([c]9([c]2([c]3([c]4([c]89[Si](C)(C)C)C)C)C)C)[O]2C=[O][Y]34892([O]5C=[O]6)([O]=C(O7)Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)(O1)[c]1([c]3([c]4([c]9([c]81C)C)C)C)[Si](C)(C)C)Oc1c(cc(cc1C(C)(C)C)C)C(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: 13.3954 ± 0.0009 Å
• b: 13.4091 ± 0.0009 Å
• c: 17.5993 ± 0.0011 Å
• α: 90°
• β: 106.135 ± 0.001°
• γ: 90°
• Cell volume: 3036.7 ± 0.3 ų
• Cell temperature: 193 ± 1 K
• Ambient diffraction temperature: 193 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No