Information card for entry 4078872

Structure parameters

• Formula: C70 H55 Al N4 O2 Si2
• Calculated formula: C70 H55 Al N4 O2 Si2
• SMILES: [Al]1234(Oc5c(C=[N]2c2cccc6ccc[n]1c26)cc(C)cc5[Si](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1c(CN4c2cccc4ccc[n]3c24)cc(C)cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands
• Authors of publication: Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5511
• a: 11.4874 ± 0.0005 Å
• b: 14.5877 ± 0.0006 Å
• c: 20.6198 ± 0.001 Å
• α: 110.077 ± 0.002°
• β: 93.425 ± 0.002°
• γ: 107.986 ± 0.002°
• Cell volume: 3033.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No