Information card for entry 4084269

Structure parameters

• Formula: C33 H32 N2
• Calculated formula: C33 H32 N2
• SMILES: [nH]1c(C(=c2nc(cc2)c2c(cc(cc2C)C)C)c2ccccc2)ccc1c1c(cc(cc1C)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: 10.8307 ± 0.0018 Å
• b: 16.635 ± 0.002 Å
• c: 14.746 ± 0.002 Å
• α: 90°
• β: 104.179 ± 0.005°
• γ: 90°
• Cell volume: 2575.8 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1563
• 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