Information card for entry 4070906

Structure parameters

• Formula: C40 H52 Al N3 P2 Si2
• Calculated formula: C40 H52 Al N3 P2 Si2
• SMILES: [Al]1(N2C(P(=[N]1[Si](C)(C)C)(c1ccccc1)c1ccccc1)=CC=CC2=CP(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(CC)CC
• Title of publication: Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands
• Authors of publication: Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1626
• a: 27.217 ± 0.002 Å
• b: 9.512 ± 0.0009 Å
• c: 34.737 ± 0.003 Å
• α: 90°
• β: 107.876 ± 0.002°
• γ: 90°
• Cell volume: 8558.8 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2147
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No