Information card for entry 4109302

Structure parameters

• Formula: C39 H38 Br2 Cl2 P2 Pt2 S2
• Calculated formula: C39 H38 Br2 Cl2 P2 Pt2 S2
• SMILES: C[S]1[Pt](Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S](C)[Pt]1(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(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: 11.35 ± 0.002 Å
• b: 13.561 ± 0.003 Å
• c: 14.212 ± 0.003 Å
• α: 98.75 ± 0.02°
• β: 112.4 ± 0.02°
• γ: 92.88 ± 0.03°
• Cell volume: 1984.8 ± 0.8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No