Information card for entry 2212396

Structure parameters

• Chemical name: [1,1'-bis(diphenylphosphino)ferrocene-κ^2^P,P']bis(2,3,4,5,6- pentafluorobenzenethiolato)platinum(II)
• Formula: C46 H28 F10 Fe P2 Pt S2
• Calculated formula: C46 H28 F10 Fe P2 Pt S2
• SMILES: [Fe]123456789[c]%10([P]([Pt](Sc%11c(F)c(F)c(F)c(F)c%11F)(Sc%11c(F)c(F)c(F)c(F)c%11F)[P]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: [1,1'-Bis(diphenylphosphino)ferrocene-κ^2^<i>P</i>,<i>P</i>']bis(2,3,4,5,6-pentafluorobenzenethiolato)platinum(II)
• Authors of publication: Garcés-Rodríguez, Alejandra; Morales-Morales, David; Hernández-Ortega, Simón
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m479 - m481
• a: 19.7466 ± 0.0009 Å
• b: 22.0846 ± 0.001 Å
• c: 19.7669 ± 0.0009 Å
• α: 90°
• β: 106.807 ± 0.001°
• γ: 90°
• Cell volume: 8252 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes