Information card for entry 2020495

Structure parameters

• Chemical name: Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)
• Formula: C48 H22 F18 P2 Pt S2
• Calculated formula: C48 H22 F18 P2 Pt S2
• SMILES: c1(c(F)cc(c(c1S[Pt]([P](c1c(c(F)c(c(c1F)F)F)F)(c1ccccc1)c1ccccc1)([P](c1c(c(F)c(c(c1F)F)F)F)(c1ccccc1)c1ccccc1)Sc1c(c(cc(c1F)F)F)F)F)F)F
• Title of publication: <i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands
• Authors of publication: Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 268 - 273
• a: 10.3553 ± 0.0008 Å
• b: 10.5983 ± 0.001 Å
• c: 12.4594 ± 0.0008 Å
• α: 114.574 ± 0.006°
• β: 104.4 ± 0.006°
• γ: 99.442 ± 0.005°
• Cell volume: 1147.61 ± 0.18 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes