Information card for entry 4064917

Structure parameters

• Formula: C44 H40 N3 P Zn
• Calculated formula: C44 H40 N3 P Zn
• SMILES: [Zn]12([N](=P(c3ccccc3)(c3ccccc3)C=C(N1c1ccccc1)c1ccccc1)c1cccc3c1[n]2ccc3)CC.c1c(cccc1)C
• Title of publication: Zinc and Aluminum Complexes Supported by Quinoline-Based N,N,N-Chelate Ligands: Synthesis, Characterization, and Catalysis in the Ring-Opening Polymerization of ε-Caprolactone andrac-Lactide
• Authors of publication: Ma, Wen-An; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4364
• a: 11.623 ± 0.0004 Å
• b: 12.7857 ± 0.0006 Å
• c: 14.1984 ± 0.0006 Å
• α: 86.513 ± 0.004°
• β: 68.431 ± 0.004°
• γ: 85.898 ± 0.003°
• Cell volume: 1955.86 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No