Information card for entry 7039634

Structure parameters

• Formula: C19 H33 I2 N3 O3 Pd Si
• Calculated formula: C19 H33 I2 N3 O3 Pd Si
• SMILES: [Pd](I)(I)([n]1ccc(cc1)C)=C1N(C=CN1C)CCC[Si](OCC)(OCC)OCC
• Title of publication: Magnetically recoverable catalysts based on mono- or bis-(NHC) complexes of palladium for the Suzuki-Miyaura reaction in aqueous media: two NHC-Pd linkages are better than one.
• Authors of publication: Martínez-Olid, Francisco; Andrés, Román; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Heuzé, Karine; Vellutini, Luc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11633 - 11638
• a: 8.9025 ± 0.0013 Å
• b: 10.7384 ± 0.001 Å
• c: 15.224 ± 0.004 Å
• α: 87.238 ± 0.016°
• β: 89.8 ± 0.02°
• γ: 70.189 ± 0.011°
• Cell volume: 1367.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No