Information card for entry 4074676

Structure parameters

• Formula: C14 H26 Br2 N4 Pd
• Calculated formula: C14 H26 Br2 N4 Pd
• SMILES: Br[Pd]1(=C(NC2CCCCC2)NNC=1NC1CCCCC1)Br
• Title of publication: Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification
• Authors of publication: Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 491
• a: 26.292 ± 0.0012 Å
• b: 7.6568 ± 0.0003 Å
• c: 9.6383 ± 0.0004 Å
• α: 90°
• β: 107.61 ± 0.003°
• γ: 90°
• Cell volume: 1849.38 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No