Information card for entry 4342850

Structure parameters

• Formula: C29 H36 B2 Cl4 F8 N2 O Pd S
• Calculated formula: C29 H36 B2 Cl4 F8 N2 O Pd S
• SMILES: [Pd]123[S](c4ccccc4[N]3=c3c(=[O]1)c(C(C)(C)C)cc(C(C)(C)C)c3)CCc1[n]2cccc1.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3.
• Authors of publication: Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5182 - 5194
• a: 9.3607 ± 0.0006 Å
• b: 9.9356 ± 0.0007 Å
• c: 20.6551 ± 0.0013 Å
• α: 103.51 ± 0.001°
• β: 101.039 ± 0.001°
• γ: 94.595 ± 0.001°
• Cell volume: 1817.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No