Information card for entry 7022625

Structure parameters

• Formula: C55 H48 Cl2 F6 Fe N O6 P3 Pt S2
• Calculated formula: C55 H48 Cl2 F6 Fe N O6 P3 Pt S2
• SMILES: [PtH]1([P]([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[c]8([P]1(c1ccccc1)c1ccccc1)[cH]93)(c1ccccc1)c1ccccc1)[P](c1cccc([nH+]1)C)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl
• 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: 10.5447 ± 0.0016 Å
• b: 19.482 ± 0.0015 Å
• c: 27.918 ± 0.004 Å
• α: 90°
• β: 110.495 ± 0.016°
• γ: 90°
• Cell volume: 5372.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No