Information card for entry 4334519

Structure parameters

• Common name: Pt3(mu-PBut2)3I3
• Formula: C24 H54 I3 P3 Pt3
• Calculated formula: C24 H54 I3 P3 Pt3
• SMILES: I[Pt]123[P](C(C)(C)C)([Pt]43(I)[P](C(C)(C)C)([Pt]24(I)[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Unprecedented Tris-Phosphido-Bridged Triangular Clusters with 42 Valence Electrons. Chemical, Electrochemical and Computational Studies of their Formation and Stability
• Authors of publication: Tiziana Funaioli; Piero Leoni; Lorella Marchetti; Alberto Albinati; Silvia Rizzato; Fabrizia Fabrizi de Biani; Andrea Ienco; Gabriele Manca; Carlo Mealli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4635 - 4647
• a: 12.4547 ± 0.0011 Å
• b: 12.4547 Å
• c: 14.3765 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1931.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No