Information card for entry 4109298

Structure parameters

• Formula: C61 H58 Cl13 P3 Pt3 S3
• Calculated formula: C61 H58 Cl13 P3 Pt3 S3
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](C)[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](C)[Pt]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: Alkylthio Bridged 44 cve Triangular Platinum Clusters: Synthesis, Oxidation, Degradation, Ligand Substitution, and Quantum Chemical Calculations
• Authors of publication: Christian Albrecht; Sebastian Schwieger; Clemens Bruhn; Christoph Wagner; Ralph Kluge; Harry Schmidt; Dirk Steinborn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4551 - 4566
• a: 14.483 ± 0.002 Å
• b: 26.555 ± 0.005 Å
• c: 18.961 ± 0.003 Å
• α: 90°
• β: 95.12 ± 0.02°
• γ: 90°
• Cell volume: 7263 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No