Information card for entry 4078750

Structure parameters

• Formula: C73 H77 N3 Nd P3
• Calculated formula: C66 H69 N3 Nd P3
• SMILES: [Nd]123([N](=P(c4c1cccc4)(c1ccccc1)c1ccccc1)CCCC)([N](=P(c1c2cccc1)(c1ccccc1)c1ccccc1)CCCC)[N](=P(c1ccccc31)(c1ccccc1)c1ccccc1)CCCC
• 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: 13.147 ± 0.001 Å
• b: 15.142 ± 0.001 Å
• c: 18.314 ± 0.001 Å
• α: 88.807 ± 0.001°
• β: 70.318 ± 0.001°
• γ: 85.995 ± 0.001°
• Cell volume: 3424.4 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0553
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No