Information card for entry 4112663

Structure parameters

• Formula: C31 H38 Cl N3 O Pd
• Calculated formula: C31 H38 Cl N3 O Pd
• SMILES: [Pd]12(Cl)[n]3ccccc3C[N]1(CCc1c2[nH]c2ccccc12)Cc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Reactivity of the Indole Ring in Palladium(II) Complexes of 2N1O-Donor Ligands: Cyclopalladation and π-Cation Radical Formation
• Authors of publication: Takeshi Motoyama; Yuichi Shimazaki; Tatsuo Yajima; Yasuo Nakabayashi; Yoshinori Naruta; Osamu Yamauchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7378 - 7385
• a: 8.5354 ± 0.0006 Å
• b: 15.3198 ± 0.0009 Å
• c: 21.615 ± 0.002 Å
• α: 90°
• β: 87.961 ± 0.003°
• γ: 90°
• Cell volume: 2824.6 ± 0.4 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No