Information card for entry 4076066

Structure parameters

• Common name: Compound 5
• Formula: C56 H104 Mg O8 Sm2
• Calculated formula: C56 H104 Mg O8 Sm2
• SMILES: [CH2]1=[CH]2C[Sm]34567812(C[CH]3=[CH2]4)([CH2]=[CH]5C6)[CH2]=[CH]7C8.[O]1(CCCC1)[Mg]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.[CH2]1=[CH]2C[Sm]34567812(C[CH]3=[CH2]4)(C[CH]5=[CH2]6)C[CH]7=[CH2]8.O1CCCC1
• Title of publication: Synthesis and Structures of New Mixed-Metal Lanthanide/Magnesium Allyl Complexes
• Authors of publication: Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5329
• a: 23.3797 ± 0.0004 Å
• b: 21.6107 ± 0.0004 Å
• c: 12.3467 ± 0.0003 Å
• α: 90°
• β: 103.252 ± 0.0008°
• γ: 90°
• Cell volume: 6072.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No