Information card for entry 7021838

Structure parameters

• Formula: C41 H32 F3 N O2 P2 Pt
• Calculated formula: C41 H32 F3 N O2 P2 Pt
• SMILES: [Pt]12(c3cccc4ccc5ccc[n]2c5c34)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1.C(F)(F)(F)C(=O)[O-]
• Title of publication: Selectivity in metal-carbon bond protonolysis in p-tolyl- (or methyl)-cycloplatinated(ii) complexes: kinetics and mechanism of the uncatalyzed isomerization of the resulting Pt(ii) products.
• Authors of publication: Haghighi, Mohsen Golbon; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13369 - 13380
• a: 11.6274 ± 0.0002 Å
• b: 13.9851 ± 0.0002 Å
• c: 21.7088 ± 0.0003 Å
• α: 90°
• β: 92.005 ± 0.001°
• γ: 90°
• Cell volume: 3527.91 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No