Information card for entry 4104883

Structure parameters

• Common name: PdCl2(CNArDipp2)2
• Formula: C62 H74 Cl2 N2 Pd
• Calculated formula: C62 H74 Cl2 N2 Pd
• SMILES: [Pd](Cl)(C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(C(C)C)cccc1C(C)C)(Cl)C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(C(C)C)cccc1C(C)C
• 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: 23.583 ± 0.007 Å
• b: 23.72 ± 0.007 Å
• c: 21.193 ± 0.006 Å
• α: 90°
• β: 108.667 ± 0.004°
• γ: 90°
• Cell volume: 11231 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No