Information card for entry 7054775

Structure parameters

• Formula: C23 H44 N O Sc Si2
• Calculated formula: C23 H44 N O Sc Si2
• SMILES: [Sc]123456([N]7(C1CCC7)[Si]([c]12[c]3([c]4([c]5([c]61C)C)C)C)(C)C)([O]1CCCC1)C[Si](C)(C)C
• Title of publication: Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization
• Authors of publication: Deng, Meng; Chi, Shuhui; Luo, Yunjie
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7575
• a: 10.7306 ± 0.0005 Å
• b: 16.1771 ± 0.0007 Å
• c: 15.2453 ± 0.0007 Å
• α: 90°
• β: 95.132 ± 0.004°
• γ: 90°
• Cell volume: 2635.8 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No