Information card for entry 4074794

Structure parameters

• Common name: Complex 3
• Formula: C36 H54 Mg N2 O
• Calculated formula: C36 H54 Mg N2 O
• SMILES: [Mg]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)CC=C
• Title of publication: Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis
• Authors of publication: Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 1012
• a: 9.0247 ± 0.0003 Å
• b: 12.194 ± 0.0004 Å
• c: 15.9219 ± 0.0005 Å
• α: 86.9435 ± 0.0015°
• β: 78.178 ± 0.0015°
• γ: 89.2258 ± 0.0011°
• Cell volume: 1712.55 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.132
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No