Information card for entry 4342851

Structure parameters

• Formula: C46 H49 Cl2 F6 N2 O P2 Pd S
• Calculated formula: C46 H49 Cl2 F6 N2 O P2 Pd S
• SMILES: [Pd]12(N(c3c(O2)c(C(C)(C)C)cc(c3)C(C)(C)C)c2c(SCCc3[n]1cccc3)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• 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: 21.153 ± 0.004 Å
• b: 11.155 ± 0.002 Å
• c: 20.546 ± 0.004 Å
• α: 90°
• β: 105.84 ± 0.003°
• γ: 90°
• Cell volume: 4664 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No