Information card for entry 7709857

Structure parameters

• Formula: C34 H53 B F4 P2 Pt
• Calculated formula: C34 H53 B F4 P2 Pt
• SMILES: [Pt]123([P](c4c(cccc4C)C3)(C(C)C)C(C)C)C3c4c([P+]([CH]2=[C]13CCCC)(C(C)C)C(C)C)c(ccc4)C.[B](F)(F)(F)[F-]
• Title of publication: Electrophilic activation of alkynes promoted by a cationic alkylidene complex of Pt(ii)
• Authors of publication: Alcaide, María M.; Sánchez, Práxedes; Álvarez, Eleuterio; Maya, Celia; López-Serrano, Joaquín; Peloso, Riccardo
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.839 ± 0.0012 Å
• b: 11.7018 ± 0.001 Å
• c: 24.993 ± 0.002 Å
• α: 90°
• β: 93.286 ± 0.005°
• γ: 90°
• Cell volume: 3456.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No