Information card for entry 7053074

Structure parameters

• Formula: C23 H54 Lu N3 Si5
• Calculated formula: C23 H54 Lu N3 Si5
• SMILES: [Lu]1234567([N]8(CCCC8)[Si]([c]84[c]5([c]1([c]2([c]38C)C)C)C)(C)C)([H][Si](N6[SiH](C)C)(C)C)[H][Si](N7[SiH](C)C)(C)C
• 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: 9.9233 ± 0.0003 Å
• b: 19.4249 ± 0.0005 Å
• c: 17.3278 ± 0.0005 Å
• α: 90°
• β: 96.934 ± 0.002°
• γ: 90°
• Cell volume: 3315.66 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0403
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No