Information card for entry 4308021

Structure parameters

• Formula: C38 H35 I N2 Pd
• Calculated formula: C38 H35 I N2 Pd
• SMILES: c12c3cccc1c1ccccc1C=[N](c1c(cc(cc1C)C)C)[Pd]2(I)[N](=Cc1c3cccc1)c1c(cc(cc1C)C)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: 27.466 ± 0.0008 Å
• b: 13.746 ± 0.0004 Å
• c: 19.5017 ± 0.0006 Å
• α: 90°
• β: 121.316 ± 0.001°
• γ: 90°
• Cell volume: 6290.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No