Information card for entry 4069393

Structure parameters

• Formula: C54 H84 Al2 O4 Sm2
• Calculated formula: C54 H84 Al2 O4 Sm2
• SMILES: c12c(cc(cc1Cc1cc(cc(c1O[Sm]13([O]2[Sm]24([O]3c3(c(cc(cc3C(C)(C)C)C)Cc3cc(cc(c3O4)C(C)(C)C)C))[CH3][Al]([CH3]2)(C)C)[CH3][Al]([CH3]1)(C)C)C(C)(C)C)C)C)C(C)(C)C
• Title of publication: Aluminate Samarium(II) and Samarium(III) Aryloxides. Isolation of a Single-Component Ethylene Polymerization Catalyst
• Authors of publication: Korobkov, Ilia; Gambarotta, Sandro
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4009
• a: 10.716 ± 0.003 Å
• b: 10.928 ± 0.003 Å
• c: 13.541 ± 0.003 Å
• α: 83.106 ± 0.003°
• β: 74.914 ± 0.003°
• γ: 66.868 ± 0.003°
• Cell volume: 1407.7 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No