Information card for entry 7040130

Structure parameters

• Formula: C37 H40 Al Cl N2 O
• Calculated formula: C37 H40 Al Cl N2 O
• 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: 15.4551 ± 0.0003 Å
• b: 14.5277 ± 0.0003 Å
• c: 15.9943 ± 0.0003 Å
• α: 90°
• β: 113.696 ± 0.001°
• γ: 90°
• Cell volume: 3288.39 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No