Information card for entry 4068047

Structure parameters

• Formula: C24 H28 F12 N6 P2 Pd
• Calculated formula: C24 H28 F12 N6 P2 Pd
• SMILES: [Pd]1(=C2N(c3c(C)cc(C)cc3C)C=CN2Cc2cccc[n]12)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 9.4553 ± 0.001 Å
• b: 11.9013 ± 0.0012 Å
• c: 14.6164 ± 0.0015 Å
• α: 81.319 ± 0.002°
• β: 81.008 ± 0.002°
• γ: 72.485 ± 0.002°
• Cell volume: 1539.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No