Information card for entry 4104889

Structure parameters

• Common name: Pd(ONPh)2(CNArDipp2)2
• Formula: C78 H94 N4 O3 Pd
• Calculated formula: C78 H94 N4 O3 Pd
• SMILES: C(#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(C(C)C)cccc1C(C)C)[Pd](C#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(C(C)C)cccc1C(C)C)([N](=O)c1ccccc1)[N](=O)c1ccccc1.O(CC)CC
• Title of publication: Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer
• Authors of publication: Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11318 - 11319
• a: 28.359 ± 0.015 Å
• b: 17.767 ± 0.009 Å
• c: 16.697 ± 0.009 Å
• α: 90°
• β: 114.925 ± 0.007°
• γ: 90°
• Cell volume: 7629 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No