Information card for entry 4109137

Structure parameters

• Formula: C32 H46 N2 O2 Pd
• Calculated formula: C32 H46 N2 O2 Pd
• SMILES: c12c(cc(cc1C=[N]1[Pd]3(O2)[N](=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O3)CC1)C(C)(C)C)C(C)(C)C
• Title of publication: Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
• Authors of publication: Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2559 - 2568
• a: 26.674 ± 0.008 Å
• b: 10.956 ± 0.004 Å
• c: 10.273 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.2 ± 1.8 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No