Information card for entry 4078873

Structure parameters

• Formula: C37 H33 In N2 O Si
• Calculated formula: C37 H33 In N2 O Si
• SMILES: [In]12(C)(C)[N](=Cc3c(O2)c(cc(c3)C)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c2cccc3ccc[n]1c23
• 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: 17.1495 ± 0.0005 Å
• b: 11.1441 ± 0.0003 Å
• c: 18.2625 ± 0.0005 Å
• α: 90°
• β: 115.337 ± 0.001°
• γ: 90°
• Cell volume: 3154.51 ± 0.15 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: 0.0365
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No