Information card for entry 4109300

Structure parameters

• Formula: C78 H72 Cl O P3 Pt3 S4
• Calculated formula: C78 H72 Cl O P3 Pt3 S4
• SMILES: C(c1ccccc1)[S]1[Pt]2([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]3[Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S](Cc1ccccc1)[Pt]3([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]2Cc1ccccc1.C(=O)(C)C.[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: 28.655 ± 0.007 Å
• b: 15.065 ± 0.002 Å
• c: 18.692 ± 0.005 Å
• α: 90°
• β: 88.07 ± 0.03°
• γ: 90°
• Cell volume: 8065 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No