Information card for entry 4112662

Structure parameters

• Formula: C31 H38 Cl N3 O Pd
• Calculated formula: C31 H38 Cl N3 O Pd
• SMILES: [Pd]12(Cl)Oc3c(C[N]2(Cc2[n]1cccc2)CCc1c[nH]c2ccccc12)cc(cc3C(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: 17.276 ± 0.005 Å
• b: 69.1 ± 0.1 Å
• c: 9.519 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11364 ± 17 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No