Information card for entry 4109301

Structure parameters

• Formula: C62 H55 Cl P4 Pt2 S
• Calculated formula: C62 H55 Cl P4 Pt2 S
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pt]12[P](C[P](c3ccccc3)(c3ccccc3)[Pt]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1C)(c1ccccc1)c1ccccc1.[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: 11.2934 ± 0.0014 Å
• b: 29.191 ± 0.005 Å
• c: 16.471 ± 0.002 Å
• α: 90°
• β: 91.44 ± 0.016°
• γ: 90°
• Cell volume: 5428.2 ± 1.3 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: 0.0593
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No