Information card for entry 4084770

Structure parameters

• Formula: C54 H62 Al2 N6 Sm
• Calculated formula: C54 H62 Al2 N6 Sm
• Title of publication: Formation of a Heterometallic AlIII/SmIIIComplex Involving a Novel [EtAl(2-py)2O]2‒Ligand (2-py = 2-Pyridyl)
• Authors of publication: García-Rodríguez, Raúl; Simmonds, Hayley R.; Wright, Dominic S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7113
• a: 9.5493 ± 0.0011 Å
• b: 10.6865 ± 0.0012 Å
• c: 13.753 ± 0.0013 Å
• α: 71.935 ± 0.003°
• β: 69.964 ± 0.003°
• γ: 84.546 ± 0.004°
• Cell volume: 1253.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No