Information card for entry 4334520

Structure parameters

• Common name: Pt3(mu-PBut2)3Br3
• Formula: C24 H54 Br3 P3 Pt3
• Calculated formula: C24 H54 Br3 P3 Pt3
• SMILES: [P]1(C(C)(C)C)([Pt]23([P](C(C)(C)C)([Pt]43([P](C(C)(C)C)([Pt]124Br)C(C)(C)C)Br)C(C)(C)C)Br)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: 11.9553 ± 0.0008 Å
• b: 11.9553 Å
• c: 14.656 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1814.12 ± 0.17 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: 0.0269
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No