Information card for entry 7035671

Structure parameters

• Chemical name: 1,l'-bis (dipheny1phosphino)ferrocene pyridine-2-thiolato-1-oxide palladium hexafluorophosphate
• Formula: C39 H32 F6 Fe N O P3 Pd S
• Calculated formula: C39 H32 F6 Fe N O P3 Pd S
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P](c1ccccc1)(c1ccccc1)[Pd]1([O]=n3c(cccc3)S1)[P]2(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Aromatic amine N-oxide organometallic compounds: searching for prospective agents against infectious diseases.
• Authors of publication: Rodríguez Arce, Esteban; Mosquillo, M. Florencia; Pérez-Díaz, Leticia; Echeverría, Gustavo A; Piro, Oscar E.; Merlino, Alicia; Coitiño, E Laura; Maríngolo Ribeiro, Camila; Leite, Clarice Q. F.; Pavan, Fernando R.; Otero, Lucía; Gambino, Dinorah
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14453 - 14464
• a: 10.3446 ± 0.0016 Å
• b: 22.319 ± 0.003 Å
• c: 17.307 ± 0.003 Å
• α: 90°
• β: 106.232 ± 0.018°
• γ: 90°
• Cell volume: 3836.6 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1826
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No