Information card for entry 4082446

Structure parameters

• Formula: C44 H51 Mg N2 O1.5 P
• Calculated formula: C44 H51 Mg N2 O1.5 P
• SMILES: [N]1(=P(c2ccccc2)(C=C(N([Mg]1(CCCC)[O]1CCCC1)c1c(C)cccc1C)c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide
• Authors of publication: Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 722
• a: 39.019 ± 0.003 Å
• b: 11.2498 ± 0.0007 Å
• c: 18.4868 ± 0.0012 Å
• α: 90°
• β: 112.743 ± 0.001°
• γ: 90°
• Cell volume: 7483.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No