Information card for entry 7709858

Structure parameters

• Formula: C35 H55 B Cl2 F4 P2 Pt
• Calculated formula: C35 H55 B Cl2 F4 P2 Pt
• SMILES: [Pt]123([P](c4c(cccc4C)C3)(C(C)C)C(C)C)C3c4c([P+]([CH]2=[C]13C(C)(C)C)(C(C)C)C(C)C)c(ccc4)C.[B](F)(F)(F)[F-].ClCCl
• 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: 11.649 ± 0.0013 Å
• b: 12.4817 ± 0.0013 Å
• c: 14.4148 ± 0.0015 Å
• α: 80.709 ± 0.005°
• β: 86.185 ± 0.005°
• γ: 68.498 ± 0.004°
• Cell volume: 1924.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0225
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No