Information card for entry 4076064

Structure parameters

• Common name: Compound 2
• Formula: C25 H45 Mg O5 Y
• Calculated formula: C25 H43.8 Mg O5 Y
• 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: 22.0174 ± 0.0007 Å
• b: 12.4833 ± 0.0006 Å
• c: 10.7855 ± 0.0003 Å
• α: 90°
• β: 116.344 ± 0.002°
• γ: 90°
• Cell volume: 2656.53 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No