Information card for entry 4068049

Structure parameters

• Formula: C20 H23 F6 N4 P Pd
• Calculated formula: C20 H23 F6 N4 P Pd
• SMILES: [Pd]1(=C2N(c3c(C)cc(C)cc3C)C=CN2c2cccc[n]12)(C)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization
• Authors of publication: Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 976
• a: 12.6559 ± 0.0003 Å
• b: 14.9426 ± 0.0003 Å
• c: 12.3617 ± 0.0003 Å
• α: 90°
• β: 105.147 ± 0.003°
• γ: 90°
• Cell volume: 2256.53 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No