Information card for entry 7020467

Structure parameters

• Formula: C77 H67 Cl4 F6 O P5 Pt2 S2
• Calculated formula: C77 H67 Cl4 F6 O P5 Pt2 S2
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]2[Pt]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)SC1C(=O)C2.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: A novel structural rearrangement reaction of dialkylated derivatives of [Pt(2)(μ-S)(2)(PPh(3))(4)] involving Pt-C bond formation.
• Authors of publication: Ujam, Oguejiofo T.; Devoy, Sarah M.; Henderson, William; Nicholson, Brian K.; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12773 - 12780
• a: 19.577 ± 0.013 Å
• b: 14.693 ± 0.01 Å
• c: 26.924 ± 0.018 Å
• α: 90°
• β: 110.392 ± 0.007°
• γ: 90°
• Cell volume: 7259 ± 8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No