Information card for entry 4308022

Structure parameters

• Formula: C36 H31 I N2 Pd
• Calculated formula: C36 H31 I N2 Pd
• SMILES: [Pd]12(I)[N](=Cc3c(c4c2c(ccc4)c2c(cccc2)C=[N]1[C@@H](C)c1ccccc1)cccc3)[C@@H](C)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: 15.7499 ± 0.0002 Å
• b: 15.7499 ± 0.0002 Å
• c: 10.5822 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2273.33 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0143
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No