Information card for entry 4064918

Structure parameters

• Formula: C50 H47 Al N3 P
• Calculated formula: C50 H47 Al N3 P
• SMILES: [Al]12([n]3cccc4c3c([N]1=P(C=C(N2c1ccc(cc1)C)c1ccccc1)(c1ccccc1)c1ccccc1)ccc4)(C)C.c1ccccc1.c1ccccc1
• 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: 22.133 ± 0.002 Å
• b: 11.277 ± 0.001 Å
• c: 36.196 ± 0.003 Å
• α: 90°
• β: 107.595 ± 0.002°
• γ: 90°
• Cell volume: 8611.6 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No