Information card for entry 4078874

Structure parameters

• Formula: C46 H52 In N2 O Si3
• Calculated formula: C46 H52 In N2 O Si3
• 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: 14.5921 ± 0.0004 Å
• b: 15.1638 ± 0.0004 Å
• c: 19.8274 ± 0.0006 Å
• α: 90°
• β: 99.837 ± 0.001°
• γ: 90°
• Cell volume: 4322.7 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No