Information card for entry 4108417

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[CH]2=[CH]([C@H](C[C@H](C)O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)[Pd]312[N](=C(C)C(=[N]3c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(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: 12.634 ± 0.003 Å
• b: 13.905 ± 0.003 Å
• c: 14.845 ± 0.004 Å
• α: 90.303 ± 0.005°
• β: 112.075 ± 0.004°
• γ: 95.868 ± 0.004°
• Cell volume: 2401.4 ± 1 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: 0.0506
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No