Information card for entry 4060837

Structure parameters

• Formula: C33 H33 I N4 Pd
• Calculated formula: C33 H33 I N4 Pd
• SMILES: I[Pd](C(=Nc1c(cccc1C)C)c1ccccc1N)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C
• Title of publication: Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes
• Authors of publication: José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Pages of publication: 272 - 282
• a: 12.966 ± 0.003 Å
• b: 12.378 ± 0.003 Å
• c: 18.662 ± 0.004 Å
• α: 90°
• β: 90.28 ± 0.03°
• γ: 90°
• Cell volume: 2995.2 ± 1.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No