Information card for entry 4076065

Structure parameters

• Common name: Compound 3
• Formula: C73 H126 Mg O6 Sm4
• Calculated formula: C73 H126 Mg O6 Sm4
• 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: 12.3977 ± 0.0002 Å
• b: 21.6574 ± 0.0002 Å
• c: 14.9078 ± 0.0002 Å
• α: 90°
• β: 104.417 ± 0.0005°
• γ: 90°
• Cell volume: 3876.72 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No