Information card for entry 4308018

Structure parameters

• Formula: C33 H24 Cl3 I N2 Pd
• Calculated formula: C33 H24 Cl3 I N2 Pd
• SMILES: I[Pd]12[N](c3ccccc3)=Cc3c(cccc3)c3c1c(c1c(cccc1)C=[N]2c1ccccc1)ccc3.ClC(Cl)Cl
• Title of publication: Synthesis and Structural Studies of NCN Diimine Palladium Pincer Complexes Bearingm-Terphenyl Scaffolds
• Authors of publication: Liqing Ma; Philip M. Imbesi; James B. Updegraff; Allen D. Hunter; John D. Protasiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5220 - 5228
• a: 12.1103 ± 0.0012 Å
• b: 14.0116 ± 0.0014 Å
• c: 18.9519 ± 0.0019 Å
• α: 90°
• β: 107.876 ± 0.002°
• γ: 90°
• Cell volume: 3060.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No