Information card for entry 4081190

Structure parameters

• Formula: C22 H21 Al2 I6 O2 P
• Calculated formula: C22 H21 Al2 I6 O2 P
• SMILES: I[Al](I)(I)OC(=P(c1ccccc1C)(c1ccccc1C)c1ccccc1C)O[Al](I)(I)I
• Title of publication: Stoichiometric Reduction of CO2to CO by Phosphine/AlX3-Based Frustrated Lewis Pairs
• Authors of publication: Ménard, Gabriel; Gilbert, Thomas M.; Hatnean, Jillian A.; Kraft, Anne; Krossing, Ingo; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4416
• a: 10.9541 ± 0.0007 Å
• b: 18.4541 ± 0.0013 Å
• c: 16.5285 ± 0.0011 Å
• α: 90°
• β: 93.151 ± 0.002°
• γ: 90°
• Cell volume: 3336.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No