Information card for entry 7115661

Structure parameters

• Formula: C37 H48 N5 O P Si Zn
• Calculated formula: C37 H48 N5 O P Si Zn
• SMILES: C12n3c(C)cc(C)[n]3[Zn](C[Si](C)(C)C)([n]3c(cc(C)n13)C)N(c1ccccc1)P=2(c1ccccc1)c1ccccc1.C1CCCO1
• Title of publication: Isoselective ring-opening polymerization of rac-lactide initiated by achiral heteroscorpionate zwitterionic zinc complexes
• Authors of publication: Zehuai Mou; Bo Liu; Meiyan Wang; Hongyan Xie; Ping Li; Lei Li; Shihui Li; Dongmei Cui
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11411
• a: 9.9691 ± 0.0005 Å
• b: 11.3621 ± 0.0006 Å
• c: 17.9387 ± 0.001 Å
• α: 102.22 ± 0.001°
• β: 98.414 ± 0.001°
• γ: 109.478 ± 0.001°
• Cell volume: 1819.61 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No