Information card for entry 7226694

Structure parameters

• Formula: C64 H52 Cl2 F6 N3 P3 Pt2 S
• Calculated formula: C64 H52 Cl2 F6 N3 P3 Pt2 S
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1S[Pt]1(c2c(c3[n]1cccc3)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Carbon‒Sulfur Bond Reductive Coupling from a Platinum(II) Thiolate Complex
• Authors of publication: Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 20.818 ± 0.004 Å
• b: 10.72 ± 0.002 Å
• c: 27.89 ± 0.006 Å
• α: 90°
• β: 98.7 ± 0.03°
• γ: 90°
• Cell volume: 6153 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1467
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No