Information card for entry 1516476

Structure parameters

• Formula: C32 H62 Lu2 N2 O2 Si2
• Calculated formula: C32 H62 Lu2 N2 O2 Si2
• SMILES: [Lu]12345([N]([C@@H]6[CH]4=[CH]5[CH]1=[CH]3CC6)(C)[Lu]1345([N]2([C@H]2[CH]1=[CH]3[CH]4=[CH]5CC2)C)([O]1CCCC1)C[Si](C)(C)C)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene
• Authors of publication: Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3567
• a: 19.256 ± 0.002 Å
• b: 10.164 ± 0.001 Å
• c: 18.218 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3565.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No