Information card for entry 4308020

Structure parameters

• Formula: C36 H31 I N2 Pd
• Calculated formula: C36 H31 I N2 Pd
• SMILES: [Pd]12(I)[N](=Cc3c(c4c2c(ccc4)c2ccccc2C=[N]1c1c(cccc1C)C)cccc3)c1c(cccc1C)C
• 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: 17.3546 ± 0.0004 Å
• b: 14.2975 ± 0.0004 Å
• c: 12.2046 ± 0.0003 Å
• α: 90°
• β: 99.881 ± 0.001°
• γ: 90°
• Cell volume: 2983.37 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No