Information card for entry 4064915

Structure parameters

• Formula: C29 H26 N3 P Zn
• Calculated formula: C29 H26 N3 P Zn
• SMILES: [Zn]12([n]3c(C=P(N1c1cccc4c1[n]2ccc4)(c1ccccc1)c1ccccc1)cccc3)CC
• 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: 10.113 ± 0.0004 Å
• b: 11.3801 ± 0.0005 Å
• c: 13.7665 ± 0.0006 Å
• α: 85.789 ± 0.004°
• β: 68.959 ± 0.004°
• γ: 73.559 ± 0.004°
• Cell volume: 1417.54 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No