Information card for entry 4084270

Structure parameters

• Formula: C35 H37 Al N2
• Calculated formula: C35 H37 Al N2
• SMILES: C1(c2ccccc2)=c2ccc(c3c(cc(cc3C)C)C)[n]2[Al](C)(n2c1ccc2c1c(cc(cc1C)C)C)C
• Title of publication: Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand
• Authors of publication: Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4503
• a: 10.01 ± 0.002 Å
• b: 11.767 ± 0.002 Å
• c: 12.451 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.6 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No