Information card for entry 7107754

Structure parameters

• Formula: C34 H29 Cl3 N4 O Pd
• Calculated formula: C34 H29 Cl3 N4 O Pd
• SMILES: c1cc2cccc(c2cc1)Cn1cc[n+]2c1c1ccccc1[Pd](C2C(=O)Nc1ccccc1)(Cl)[n]1ccccc1.C(Cl)Cl
• Title of publication: Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group
• Authors of publication: Jhen-Yi Lee; Yao-Huei Huang; Shu-Ya Liu; Shun-Chu Cheng; Yang-Ming Jhou; Jenn-Huei Lii; Hon Man Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5632
• a: 9.8587 ± 0.0002 Å
• b: 11.1511 ± 0.0003 Å
• c: 15.017 ± 0.0004 Å
• α: 80.665 ± 0.002°
• β: 89.264 ± 0.002°
• γ: 73.218 ± 0.002°
• Cell volume: 1558.65 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No