Information card for entry 4073751

Structure parameters

• Formula: C66 H66 B F24 N2 O2 Pd
• Calculated formula: C66 H66 B F24 N2 O2 Pd
• SMILES: [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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C1(C(C)(C)C[Pd]2([N](c3c(C(C)C)cccc3C(C)C)=C(C(C)=[N]2c2c(C(C)C)cccc2C(C)C)C)[O]=1)OC
• Title of publication: Methacrylate Insertion into Cationic Diimine Palladium(II)−Alkyl Complexes and the Synthesis of Poly(alkene-block-alkene/carbon monoxide) Copolymers
• Authors of publication: Borkar, Sachin; Yennawar, Hemant; Sen, Ayusman
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4711
• a: 12.724 ± 0.005 Å
• b: 15.191 ± 0.006 Å
• c: 18.227 ± 0.007 Å
• α: 80.888 ± 0.007°
• β: 74.034 ± 0.007°
• γ: 81.154 ± 0.007°
• Cell volume: 3322 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No