Information card for entry 4073689

Structure parameters

• Formula: C67 H51 B F24 P2 Pd
• Calculated formula: C67 H51 B F24 P2 Pd
• SMILES: [Pd]123([P](CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH2]=[C]2(C3=C(C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis, Structure, and Reactivity of (1,2,3-η3-Butadien-3-yl)palladium Complexes
• Authors of publication: Ogasawara, Masamichi; Okada, Atsushi; Watanabe, Susumu; Fan, Liyan; Uetake, Koichi; Nakajima, Kiyohiko; Takahashi, Tamotsu
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 5025
• a: 12.9774 ± 0.0011 Å
• b: 21.5134 ± 0.0017 Å
• c: 12.9372 ± 0.0007 Å
• α: 104.254 ± 0.004°
• β: 90.176 ± 0.003°
• γ: 77.2712 ± 0.0011°
• Cell volume: 3409.7 ± 0.4 ų
• Cell temperature: 298.1 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 significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No