Information card for entry 7022624

Structure parameters

• Formula: C58 H47 F6 N O7.5 P3 Pt S2
• Calculated formula: C58 H47 F6 N O7.5 P3 Pt S2
• SMILES: [Pt]12([P](c3ccccc3)(c3ccccc3)c3ccccn3)[P](c3cccc4c3[O]2c2c(cccc2[P]1(c1ccccc1)c1ccccc1)C4(C)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Heterolytic activation of dihydrogen by platinum and palladium complexes.
• Authors of publication: Leñero, Karina Q Almeida; Guari, Yannick; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Lutz, Martin; Spek, Anthony L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6495 - 6512
• a: 42.7622 ± 0.0004 Å
• b: 12.1609 ± 0.0001 Å
• c: 23.9955 ± 0.0002 Å
• α: 90°
• β: 121.161 ± 0.0004°
• γ: 90°
• Cell volume: 10677.9 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No