Information card for entry 4334459

Structure parameters

• Formula: C86 H118 N2 O12 P2 Pt6
• Calculated formula: C86 H118 N2 O12 P2 Pt6
• SMILES: C1(=O)[Pt]234([P](c5ccccc5)(c5ccccc5)c5ccccc5)[Pt]5678(C(=O)[Pt]9%106(C(=O)[Pt]8%10(C#[O])(C5=O)[Pt]5139(C(=O)[Pt]475(C2=O)C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC.C1CCCO1.[N+](CCCC)(CCCC)(CCCC)CCCC.C1CCCO1
• Title of publication: PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses, Structures, and 31P NMR Studies
• Authors of publication: Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Zacchini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4384 - 4395
• a: 17.3714 ± 0.0009 Å
• b: 13.3264 ± 0.0007 Å
• c: 19.5839 ± 0.001 Å
• α: 90°
• β: 108.141 ± 0.001°
• γ: 90°
• Cell volume: 4308.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0876
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No