Information card for entry 4301417

Structure parameters

• Chemical name: tris(μ-2-di-t-butylphosphido)-4-bromophenylacetylide-dicarbonyl triplatinum(i,i,ii)
• Formula: C34 H58 Br O2 P3 Pt3
• Calculated formula: C34 H58 Br O2 P3 Pt3
• SMILES: Brc1ccc(C#C[Pt]234[P](C(C)(C)C)([Pt]2(C#[O])[P](C(C)(C)C)(C(C)(C)C)[Pt]4(C#[O])[P]3(C(C)(C)C)C(C)(C)C)C(C)(C)C)cc1
• 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: 15.9827 ± 0.0016 Å
• b: 19.038 ± 0.002 Å
• c: 13.9367 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4240.6 ± 0.8 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No