Information card for entry 4065783

Structure parameters

• Formula: C74 H94 I N4 Nd O3 P4
• Calculated formula: C62 H70 I N4 Nd P4
• SMILES: [Nd]1234(I)([N](C(C)C)=P(C1P(=[N]2C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[N](C(C)C)=P(C3P(=[N]4C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Iminophosphorane Neodymium(III) Complexes As Efficient Initiators for Lactide Polymerization
• Authors of publication: Buchard, Antoine; Platel, Rachel H.; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal; Williams, Charlotte K.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2892
• a: 12.329 ± 0.001 Å
• b: 12.667 ± 0.001 Å
• c: 13.149 ± 0.001 Å
• α: 98.762 ± 0.001°
• β: 104.806 ± 0.001°
• γ: 114.341 ± 0.001°
• Cell volume: 1729.7 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No