Information card for entry 4084274

Structure parameters

• Formula: C76.5 H76 Al2 N4 O
• Calculated formula: C76.5 H76 Al2 N4 O
• SMILES: [AlH]1([n]2c(=C(c3n1c(cc3)c1c(cc(cc1C)C)C)c1ccccc1)ccc2c1c(cc(cc1C)C)C)O[AlH]1[n]2c(=C(c3n1c(cc3)c1c(cc(cc1C)C)C)c1ccccc1)ccc2c1c(cc(cc1C)C)C.c1ccccc1C.c1c(cccc1)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: 11.4137 ± 0.0002 Å
• b: 13.7788 ± 0.0002 Å
• c: 20.9666 ± 0.0003 Å
• α: 95.103 ± 0.001°
• β: 96.525 ± 0.001°
• γ: 96.276 ± 0.001°
• Cell volume: 3239.16 ± 0.09 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No