Information card for entry 7719465

Structure parameters

• Formula: C26 H34 Br2 N6 Pd
• Calculated formula: C26 H34 Br2 N6 Pd
• Title of publication: Synthesis of Pd(II)-NHC complexes <i>via</i> C-H oxidative addition of triazolium salts to Pd(0).
• Authors of publication: Kovacevic, Anes; Parkin, Sean; Baltisberger, Jay H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 13863 - 13868
• a: 21.8207 ± 0.0005 Å
• b: 9.085 ± 0.0002 Å
• c: 14.5686 ± 0.0003 Å
• α: 90°
• β: 103.513 ± 0.001°
• γ: 90°
• Cell volume: 2808.14 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No