Information card for entry 7002094

Structure parameters

• Common name: (Pd(DIMesMe)(CO)(CH3))(BF4)
• Formula: C28 H33 B Cl2 F4 N4 O Pd
• Calculated formula: C28 H33 B Cl2 F4 N4 O Pd
• SMILES: [Pd]1(=C2N(C=CN2CN2C=1N(C=C2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C#[O].[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 7.3442 ± 0.0005 Å
• b: 14.0019 ± 0.0009 Å
• c: 15.7474 ± 0.001 Å
• α: 101.273 ± 0.004°
• β: 101.577 ± 0.004°
• γ: 96.19 ± 0.004°
• Cell volume: 1537.46 ± 0.18 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No