Information card for entry 4109299

Structure parameters

• Formula: C50 H42 As2 Cl8 Pt2 S2
• Calculated formula: C50 H42 As2 Cl8 Pt2 S2
• SMILES: [As](c1ccccc1)([Pt]1(Cl)[S](c2ccccc2)[Pt]([S]1c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(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: 9.194 ± 0.002 Å
• b: 17.693 ± 0.003 Å
• c: 16.586 ± 0.004 Å
• α: 90°
• β: 99.37 ± 0.03°
• γ: 90°
• Cell volume: 2662 ± 1 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: 0.0395
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No