Information card for entry 7124525

Structure parameters

• Formula: C100 H104 Al2 B2 Cl16 N4 O5
• Calculated formula: C100 H104 Al2 B2 Cl16 N4 O5
• Title of publication: Organoaluminum cations for carbonyl activation
• Authors of publication: Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 18.379 ± 0.002 Å
• b: 12.3001 ± 0.0013 Å
• c: 23.496 ± 0.003 Å
• α: 90°
• β: 109.87 ± 0.004°
• γ: 90°
• Cell volume: 4995.4 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No