Information card for entry 4308859

Structure parameters

• Formula: C42 H48 F6 N2 O2 Pd
• Calculated formula: C42 H48 F6 N2 O2 Pd
• SMILES: c1(c(cccc1)C(F)(F)F)N1[Pd]2(N(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)c2c(cccc2)C(F)(F)F)Oc2c(cc(cc12)C(C)(C)C)C(C)(C)C
• Title of publication: Structural Characterization of Four Members of the Electron-Transfer Series [PdII(L)2)2]n (L = o-Iminophenolate Derivative; n= 2-, 1-, 0, 1+, 2+). Ligand Mixed Valency in the Monocation and Monoanion with S=1/2 Ground States
• Authors of publication: Swarnalatha Kokatam; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3709 - 3717
• a: 11.1042 ± 0.0003 Å
• b: 8.1767 ± 0.0003 Å
• c: 21.874 ± 0.0005 Å
• α: 90°
• β: 91.81 ± 0.01°
• γ: 90°
• Cell volume: 1985.07 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.1373
• Weighted residual factors for significantly intense reflections: 0.1352
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No