Information card for entry 7053072

Structure parameters

• Formula: C23 H54 N3 Sc Si5
• Calculated formula: C22.92 H33 N2.99 Sc Si4.98
• Title of publication: Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene
• Authors of publication: Luo, Yunjie; Chi, Shuhui; Chen, Jue
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 9
• Pages of publication: 2675
• a: 10.7456 ± 0.0016 Å
• b: 10.7843 ± 0.0013 Å
• c: 16.231 ± 0.002 Å
• α: 108.818 ± 0.006°
• β: 93.485 ± 0.008°
• γ: 94.941 ± 0.01°
• Cell volume: 1765.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No