Information card for entry 7048608

Structure parameters

• Formula: C18 H22 I2 N4 O Pd
• Calculated formula: C18 H22 I2 N4 O Pd
• Title of publication: Hydroxyl-functionalized triazolylidene-based PEPPSI complexes: metallacycle formation effect on the Suzuki coupling reaction.
• Authors of publication: Rendón-Nava, David; Álvarez-Hernández, Alejandro; Rheingold, Arnold L.; Suárez-Castillo, Oscar R; Mendoza-Espinosa, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 3214 - 3222
• a: 11.8996 ± 0.0006 Å
• b: 12.0868 ± 0.0005 Å
• c: 16.6138 ± 0.0008 Å
• α: 90°
• β: 109.756 ± 0.005°
• γ: 90°
• Cell volume: 2248.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No