Information card for entry 4076395

Structure parameters

• Formula: C33 H59 Lu N4 O Si2
• Calculated formula: C33 H59 Lu N4 O Si2
• SMILES: [Lu]123456([n]7n(c(cc7C)C)C(n7[n]1c(cc7C)C)[C@H]([c]12[cH]3[cH]4[cH]5[cH]61)C(C)(C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: New Highly Active Heteroscorpionate-Containing Lutetium Catalysts for the Hydroamination of Aminoalkenes: Isolation and Structural Characterization of a Dipyrrolidinide–Lutetium Complex
• Authors of publication: Otero, Antonio; Lara-Sánchez, Agustín; Nájera, Carmen; Fernández-Baeza, Juan; Márquez-Segovia, Isabel; Castro-Osma, José Antonio; Martínez, Javier; Sánchez-Barba, Luis F.; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2244
• a: 9.972 ± 0.0006 Å
• b: 19.5503 ± 0.001 Å
• c: 10.5346 ± 0.0006 Å
• α: 90°
• β: 114.459 ± 0.003°
• γ: 90°
• Cell volume: 1869.47 ± 0.19 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No