Information card for entry 4084275

Structure parameters

• Formula: C37 H42 N2
• Calculated formula: C37 H42 N2
• SMILES: C(c1[nH]c(cc1)c1c(cc(cc1C)C)C)(c1[nH]c(cc1)c1c(cc(cc1C)C)C)(c1ccccc1)C(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: 10.0661 ± 0.0011 Å
• b: 12.4647 ± 0.0014 Å
• c: 13.4615 ± 0.0015 Å
• α: 68.883 ± 0.002°
• β: 70.993 ± 0.002°
• γ: 83.133 ± 0.002°
• Cell volume: 1489.7 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No