Information card for entry 4308023

Structure parameters

• Formula: C38 H33 I N2 Pd
• Calculated formula: C38 H33 I N2 Pd
• SMILES: c12c3cccc1c1c(cccc1)C=[N]([C@@H](C)c1ccccc1)[Pd]2(I)[N](=Cc1c3cccc1)[C@@H](C)c1ccccc1.c1ccccc1
• 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: 10.0764 ± 0.0003 Å
• b: 14.6621 ± 0.0004 Å
• c: 33.0584 ± 0.001 Å
• α: 90°
• β: 97.881 ± 0.002°
• γ: 90°
• Cell volume: 4838 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No