Information card for entry 4308019

Structure parameters

• Formula: C32 H35 I N2 Pd
• Calculated formula: C32 H35 I N2 Pd
• SMILES: [Pd]12(I)[N](C3CCCCC3)=Cc3c(c4c1c(c1c(cccc1)C=[N]2C1CCCCC1)ccc4)cccc3
• 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: 9.7013 ± 0.0002 Å
• b: 10.4575 ± 0.0002 Å
• c: 14.4524 ± 0.0003 Å
• α: 88.357 ± 0.001°
• β: 85.11 ± 0.001°
• γ: 73.893 ± 0.001°
• Cell volume: 1403.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No