Information card for entry 4086634

Structure parameters

• Formula: C52 H70 Al2 N4
• Calculated formula: C52 H70 Al2 N4
• SMILES: C([Al]12[c]3(c(n(cc3)C)CN1c1c(C(C)C)cccc1C(C)C)[Al]1(CC)N(c3c(cccc3C(C)C)C(C)C)Cc3n(cc[c]312)C)C.c1ccccc1.c1ccccc1
• Title of publication: Aluminum Complexes Bearing N-Protected 2-Amino- or 2-Imino-Functionalized Pyrrolyl Ligands: Synthesis, Structure, and Catalysis for Preparation of Pyrrolyl-End-Functionalized Polyesters
• Authors of publication: Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2621
• a: 12.2339 ± 0.0011 Å
• b: 14.4323 ± 0.0013 Å
• c: 13.9216 ± 0.0012 Å
• α: 90°
• β: 93.349 ± 0.001°
• γ: 90°
• Cell volume: 2453.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No