Information card for entry 7040129

Structure parameters

• Formula: C33 H31 Al I2 N2
• Calculated formula: C33 H31 Al I2 N2
• SMILES: [Al]1(I)(I)[n]2c(=C(c3n1c(cc3)c1c(cc(cc1C)C)C)c1ccccc1)ccc2c1c(cc(cc1C)C)C
• Title of publication: Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.
• Authors of publication: Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13787 - 13797
• a: 21.089 ± 0.004 Å
• b: 13.041 ± 0.003 Å
• c: 23.489 ± 0.005 Å
• α: 90°
• β: 104.897 ± 0.003°
• γ: 90°
• Cell volume: 6243 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No