Information card for entry 7040128

Structure parameters

• Formula: C33 H31 Al Cl2 N2
• Calculated formula: C33 H31 Al Cl2 N2
• SMILES: Cc1c(c2ccc3C(=c4ccc(c5c(cc(cc5C)C)C)[n]4[Al](Cl)(n23)Cl)c2ccccc2)c(cc(c1)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: 10.0003 ± 0.0006 Å
• b: 11.7787 ± 0.0007 Å
• c: 12.3391 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1453.43 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No