Information card for entry 4071440

Structure parameters

• Formula: C54 H90 Lu2 O2 Si2
• Calculated formula: C54 H90 Lu2 O2 Si2
• SMILES: [c]12([c]3([c]4([Lu]5623([c]1([c]45C)C)([H][Lu]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)[Si](C)(C)C)([H]6)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)C)C)[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: 13.0585 ± 0.0014 Å
• b: 10.1678 ± 0.0011 Å
• c: 20.55 ± 0.002 Å
• α: 90°
• β: 91.842 ± 0.001°
• γ: 90°
• Cell volume: 2727.1 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No