Information card for entry 1100981

Structure parameters

• Formula: C42 H48 B F10 N2 O2 Pd
• Calculated formula: C42 H48 B F10 N2 O2 Pd
• SMILES: [Pd]12(N(c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)c1c(cccc1)C(F)(F)F)Oc1c(cc(cc1N2c1c(cccc1)C(F)(F)F)C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• 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: 21.5769 ± 0.0006 Å
• b: 13.2251 ± 0.0003 Å
• c: 30.9126 ± 0.0008 Å
• α: 90°
• β: 95.586 ± 0.005°
• γ: 90°
• Cell volume: 8779.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No