Information card for entry 4315353

Structure parameters

• Common name: [Pt3(mu-PBut2)3(CO)2]2(mu-diethynilbiferrocene)]
• Formula: C77 H126 Cl2 Fe2 O4 P6 Pt6
• Calculated formula: C77 H126 Cl2 Fe2 O4 P6 Pt6
• SMILES: [Pt]12(C#[O])[Pt]3([Pt](C#[O])([P]3(C(C)(C)C)C(C)(C)C)[P]1(C(C)(C)C)C(C)(C)C)([P]2(C(C)(C)C)C(C)(C)C)C#C[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]9[c]81[c]1([cH]2[cH]3[cH]4[cH]15)[Fe]12345678[c]2([cH]6[cH]7[cH]8[cH]12)C#C[Pt]123[Pt](C#[O])([P]2(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)[Pt]1(C#[O])[P]3(C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Synthesis, Structure, and Electrochemistry of the Dicluster Molecular Pincer [Pt3(μ-PBut2)3(CO)2]2(μ-1',1'''-diethynylbiferrocene)
• Authors of publication: Alberto Albinati; Federica Balzano; Fabrizia Fabrizi de Biani; Piero Leoni; Gabriele Manca; Lorella Marchetti; Silvia Rizzato; Gloria Uccello Barretta; Piero Zanello
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3714 - 3720
• a: 16.2468 ± 0.0004 Å
• b: 17.2413 ± 0.0005 Å
• c: 32.2565 ± 0.0009 Å
• α: 90 ± 0.001°
• β: 90.269 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 9035.5 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No