Information card for entry 7130368

Structure parameters

• Formula: C136.5 H172 Au F6 N O4 P3 Pt S2
• Calculated formula: C98 H128 Au F6 N O4 P3 Pt S2
• SMILES: [Au]([Pt]([P](c1c(c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cccc1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C)[P](c1c(cccc1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C)[P](c1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)(C)C.C(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)(F)(F)F
• Title of publication: A highly constrained cis-dihydride platinum complex trapped by cooperative gold/platinum dihydrogen activation
• Authors of publication: Hidalgo, Nereida; de la Cruz-Martinez, Felipe; Martín, M. Trinidad; Nicasio, M. Carmen; Campos, Jesús
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.9936 ± 0.0007 Å
• b: 44.882 ± 0.002 Å
• c: 21.8761 ± 0.0012 Å
• α: 90°
• β: 102.909 ± 0.002°
• γ: 90°
• Cell volume: 13392.3 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.558
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No