Information card for entry 4081847

Structure parameters

• Formula: C61 H51 Al B11 Cl11 D12 O2
• Calculated formula: C61 H51 Al B11 Cl11 D12 O2
• 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: 12.2338 ± 0.0002 Å
• b: 33.7372 ± 0.0006 Å
• c: 16.2957 ± 0.0003 Å
• α: 90°
• β: 91.596 ± 0.002°
• γ: 90°
• Cell volume: 6723.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No