Information card for entry 4327250

Structure parameters

• Formula: C61 H59 Cl9 P2 Pt S2
• Calculated formula: C61 H59 Cl9 P2 Pt S2
• SMILES: [Pt]1(SC(=C(S1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Dimerization Processes of Square Planar [PtII(tbpy)(dithiolato.)]+ Radicals
• Authors of publication: József Sándor Pap; Flávio Luiz Benedito; Eberhard Bothe; Eckhard Bill; Serena DeBeer George; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4187 - 4196
• a: 11.731 ± 0.0006 Å
• b: 13.7027 ± 0.0007 Å
• c: 20.5167 ± 0.0012 Å
• α: 103.082 ± 0.004°
• β: 105.661 ± 0.004°
• γ: 96.134 ± 0.004°
• Cell volume: 3043.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0591
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No