Information card for entry 4081450

Structure parameters

• Formula: C56 H45 B2 F7 O4 P4 Pt4
• Calculated formula: C56 H45 B2 F7 O4 P4 Pt4
• SMILES: [Pt]1234([H][Pt]562([Pt]1([Pt]35(C#[O])[P](C(=C)[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[P](C(=C)[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O].[B](F)(F)(F)[F][B](F)(F)F
• Title of publication: Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2
• Authors of publication: Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5180
• a: 12.777 ± 0.002 Å
• b: 16.5091 ± 0.0012 Å
• c: 16.7391 ± 0.0012 Å
• α: 119.076 ± 0.001°
• β: 105.825 ± 0.001°
• γ: 95.561 ± 0.001°
• Cell volume: 2856.3 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No