Information card for entry 4086631

Structure parameters

• Formula: C50 H62 Al2 N4
• Calculated formula: C50 H62 Al2 N4
• SMILES: C[Al]12N(c3c(C(C)C)cccc3C(C)C)Cc3n(cc[c]13[Al]1(C)N(c3c(cccc3C(C)C)C(C)C)Cc3n(cc[c]213)Cc1ccccc1)Cc1ccccc1
• 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: 8.7138 ± 0.001 Å
• b: 11.5602 ± 0.0013 Å
• c: 12.2481 ± 0.0013 Å
• α: 77.218 ± 0.001°
• β: 87.061 ± 0.001°
• γ: 74.191 ± 0.001°
• Cell volume: 1157.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No