Information card for entry 4301419

Structure parameters

• Chemical name: tris(μ-2-di-t-butylphosphido)-phenylacetylide-dicarbonyl triplatinum(i,i,ii)
• Formula: C34 H59 O2 P3 Pt3
• Calculated formula: C34 H59 O2 P3 Pt3
• SMILES: [Pt]1([P](C(C)(C)C)(C(C)(C)C)[Pt]([P](C(C)(C)C)(C(C)(C)C)[Pt](C#[O])[P]1(C(C)(C)C)C(C)(C)C)C#[O])C#Cc1ccccc1
• Title of publication: Synthesis and Electrochemical Characterization of Halide, Isocyanide, and Alkynyl Synthons Containing the Encumbered Triangular Cluster Unit Pt3(μ-PtBu2)3
• Authors of publication: Claudia Cavazza; Fabrizia Fabrizi de Biani; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti; Piero Zanello
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1385 - 1397
• a: 12.0782 ± 0.0019 Å
• b: 15.5308 ± 0.0019 Å
• c: 21.956 ± 0.002 Å
• α: 90°
• β: 95.208 ± 0.01°
• γ: 90°
• Cell volume: 4101.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No