Information card for entry 4082448

Structure parameters

• Formula: C46 H55 Mg N2 O P
• Calculated formula: C46 H55 Mg N2 O P
• SMILES: [Mg]1([N](c2c(cccc2C)C)=C(C=P(N1c1c(cccc1CC)CC)(c1ccccc1)c1ccccc1)c1ccccc1)([O]1CCCC1)CCCC
• 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: 18.0013 ± 0.0014 Å
• b: 19.5713 ± 0.0016 Å
• c: 23.3879 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8239.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No