Information card for entry 4303053

Structure parameters

• Formula: C36 H52 F6 N2 O2 Pd Sb
• Calculated formula: C36 H52 F6 N2 O2 Pd Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Pd]123Oc4c(cc(cc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)C(C)(C)C)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-].[Pd]123Oc4c(cc(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)C(C)(C)C)C(C)(C)C
• Title of publication: Detailed Evaluation of the Geometric and Electronic Structures of One-Electron Oxidized Group 10 (Ni, Pd, and Pt) Metal(II)-(Disalicylidene)diamine Complexes
• Authors of publication: Yuichi Shimazaki; T. Daniel P. Stack; Tim Storr
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8383 - 8392
• a: 11.8995 ± 0.0003 Å
• b: 17.6082 ± 0.0005 Å
• c: 18.8645 ± 0.0005 Å
• α: 90°
• β: 101.352 ± 0.0008°
• γ: 90°
• Cell volume: 3875.32 ± 0.18 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No