Information card for entry 4084773

Structure parameters

• Formula: C24 H24 I2 Li2 N4
• Calculated formula: C24 H24 I2 Li2 N4
• SMILES: [Li]12([n]3c(cccc3c3[n]1c(ccc3)C)C)[I][Li]1([n]3c(cccc3c3[n]1c(ccc3)C)C)[I]2
• 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: 9.9616 ± 0.0003 Å
• b: 10.9075 ± 0.0003 Å
• c: 12.0553 ± 0.0004 Å
• α: 90°
• β: 104.174 ± 0.002°
• γ: 90°
• Cell volume: 1270.01 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No