Information card for entry 1551174

Structure parameters

• Formula: C78 H85 F9 N4 O6 P4 Pt S2
• Calculated formula: C78 H85 F9 N4 O6 P4 Pt S2
• SMILES: C1(N(C(=C(C)N1C(C)C)C)C(C)C)=[P]1[P](=C2N(C(=C(N2C(C)C)C)C)C(C)C)[Pt]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].Fc1ccccc1.Fc1ccccc1.Fc1ccccc1
• Title of publication: Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC)
• Authors of publication: Weigand, Jan J.; Schwedtmann, Kai; Haberstroh, Jan; Roediger, Sven; Hennersdorf, Felix; Frontera, Antonio; Bauza, Antonio
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.98968 ± 0.00008 Å
• b: 19.89396 ± 0.00013 Å
• c: 25.71449 ± 0.00016 Å
• α: 90°
• β: 91.6799 ± 0.0005°
• γ: 90°
• Cell volume: 7664.87 ± 0.08 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 8
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No