Information card for entry 4081848

Structure parameters

• Formula: C67 H66 Al O5 P
• Calculated formula: C67 H66 Al O5 P
• SMILES: [P+](C(=O)O[Al](Oc1c(cccc1c1ccccc1)c1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: CO2Activation with Bulky Neutral and Cationic Phenoxyalanes
• Authors of publication: Wehmschulte, Rudolf J.; Saleh, Mahmoud; Powell, Douglas R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6812
• a: 19.684 ± 0.001 Å
• b: 13.6657 ± 0.0007 Å
• c: 19.9586 ± 0.001 Å
• α: 90°
• β: 94.708 ± 0.002°
• γ: 90°
• Cell volume: 5350.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No