Information card for entry 4074935

Structure parameters

• Formula: C18 H21 I N2 O Pd
• Calculated formula: C18 H21 I N2 O Pd
• SMILES: [Pd]12(I)[O]=C(N(C)C)C[N]1(Cc1c2cccc1)Cc1ccccc1
• Title of publication: A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds
• Authors of publication: Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1995
• a: 9.418 ± 0.004 Å
• b: 12.549 ± 0.004 Å
• c: 15.614 ± 0.005 Å
• α: 90°
• β: 94.89°
• γ: 90°
• Cell volume: 1838.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No