Information card for entry 4082449

Structure parameters

• Formula: C48 H59 Mg N2 O P
• Calculated formula: C48 H59 Mg N2 O P
• SMILES: [Mg]1([N](c2c(cccc2C)C)=C(C=P(N1c1c(cccc1C(C)C)C(C)C)(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: 10.8506 ± 0.001 Å
• b: 22.03 ± 0.002 Å
• c: 18.7823 ± 0.0018 Å
• α: 90°
• β: 104 ± 0.002°
• γ: 90°
• Cell volume: 4356.3 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No