Information card for entry 4108418

Structure parameters

• Formula: C107 H93 B F20 N2 O2 Pd Si2
• Calculated formula: C107 H93 B F20 N2 O2 Pd Si2
• SMILES: [B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(C)=[N]([Pd]231C[CH]2=[CH]3[C@@H](C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)C.c1ccccc1.c1ccccc1
• Title of publication: Multiple Insertion of a Silyl Vinyl Ether by (α-Diimine)PdMe+ Species
• Authors of publication: Changle Chen; Shuji Luo; Richard F. Jordan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12892 - 12893
• a: 12.68 ± 0.008 Å
• b: 13.926 ± 0.009 Å
• c: 14.868 ± 0.009 Å
• α: 90.3 ± 0.011°
• β: 111.83 ± 0.01°
• γ: 95.895 ± 0.011°
• Cell volume: 2422 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No