Information card for entry 4065782

Structure parameters

• Formula: C53 H63 I2 N2 Nd O4 P2
• Calculated formula: C53 H63 I2 N2 Nd O4 P2
• SMILES: [Nd]12(I)(I)([N](c3ccccc3)=P(C1P(=[N]2c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 20.311 ± 0.001 Å
• b: 19.827 ± 0.001 Å
• c: 13.395 ± 0.001 Å
• α: 90°
• β: 101.168 ± 0.001°
• γ: 90°
• Cell volume: 5292.1 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No