Information card for entry 7002092

Structure parameters

• Common name: (Pd(DIMESMe)(CH3)(NCCH3))+ BF4-
• Formula: C30 H37 B F4 N6 Pd
• Calculated formula: C30 H37 B F4 N6 Pd
• SMILES: [Pd]1(=C2N(C=CN2CN2C=1N(C=C2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)[N]#CC.[B](F)(F)(F)[F-].N#CC
• Title of publication: Direct observation of a carbonylation reaction relevant to CO/alkene copolymerization in a methylpalladium carbonyl complex containing a bis(N-heterocyclic carbene) ligand
• Authors of publication: Subramanium, Sri S.; Slaughter, LeGrande M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6930
• a: 11.5389 ± 0.0001 Å
• b: 19.0724 ± 0.0002 Å
• c: 15.1677 ± 0.0002 Å
• α: 90°
• β: 108.068 ± 0.001°
• γ: 90°
• Cell volume: 3173.42 ± 0.06 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No