Information card for entry 4104884

Structure parameters

• Common name: Pd(CNArDipp2)2
• Formula: C66 H82 N2 O Pd
• Calculated formula: C66 H82 N2 O Pd
• SMILES: [Pd](C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)C#[N]c1c(c2c(C(C)C)cccc2C(C)C)cccc1c1c(C(C)C)cccc1C(C)C.O1CCCC1
• 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: 16.388 ± 0.004 Å
• b: 16.778 ± 0.004 Å
• c: 21.88 ± 0.006 Å
• α: 90°
• β: 96.164 ± 0.012°
• γ: 90°
• Cell volume: 5981 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No