Information card for entry 1564137

Structure parameters

• Formula: C84 H54 O36 P2 Pt18
• Calculated formula: C84 H54 O36 P2 Pt18
• SMILES: [Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C3=O)(C2=O)C#[O])C#[O].[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])C2=O.[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C2=O)(C#[O])C3=O)C#[O].[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C3=O)(C2=O)C#[O])C#[O].[Pt]123(C#[O])[Pt]4(C3=O)(C#[O])[Pt]1(C4=O)(C#[O])C2=O.[Pt]123([Pt]4([Pt]1(C4=O)(C#[O])C2=O)(C#[O])C3=O)C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Further insights into platinum carbonyl Chini clusters
• Authors of publication: Berti, Beatrice; Bortoluzzi, Marco; Ceriotti, Alessandro; Cesari, Cristiana; Femoni, Cristina; Carmela Iapalucci, Maria; Zacchini, Stefano
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119904
• a: 9.417 ± 0.003 Å
• b: 15.135 ± 0.005 Å
• c: 18.573 ± 0.006 Å
• α: 86.467 ± 0.003°
• β: 80.733 ± 0.004°
• γ: 75.85 ± 0.003°
• Cell volume: 2532.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No