Information card for entry 2226007

Structure parameters

• Chemical name: Bis{1-[2-(diphenylphosphino)ethyl]-3-ethyl-imidazol-2-ylidene}palladium(II) bis(hexafluoridophosphate) acetonitrile 2.85-solvate
• Formula: C43.72 H50.58 F12 N6.86 P4 Pd
• Calculated formula: C41.704 H47.556 F12 N5.852 P4 Pd
• Title of publication: Bis{1-[2-(diphenylphosphino)ethyl]-3-ethylimidazol-2-ylidene}palladium(II) bis(hexafluoridophosphate) acetonitrile 2.85-solvate
• Authors of publication: Aziza, A. Ahmida; Flörke, Ulrich; Egold, Hans; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m522
• a: 11.114 ± 0.002 Å
• b: 11.343 ± 0.002 Å
• c: 20.243 ± 0.004 Å
• α: 77.49 ± 0.004°
• β: 83.58 ± 0.005°
• γ: 85.301 ± 0.004°
• Cell volume: 2471.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes