Information card for entry 4078745

Structure parameters

• Formula: C48 H54 Li2 N2 O P2
• Calculated formula: C48 H54 Li2 N2 O P2
• Title of publication: Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene
• Authors of publication: Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4854
• a: 28.118 ± 0.001 Å
• b: 33.105 ± 0.001 Å
• c: 18.385 ± 0.001 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 90°
• Cell volume: 17113.6 ± 1.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No