Information card for entry 7021837

Structure parameters

• Formula: C17 H14 F3 N O2 Pt S
• Calculated formula: C17 H14 F3 N O2 Pt S
• SMILES: [Pt]1(c2cccc3ccc4ccc[n]1c4c23)([S](C)C)OC(=O)C(F)(F)F
• 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: 4.6705 ± 0.0001 Å
• b: 13.9784 ± 0.0003 Å
• c: 12.7548 ± 0.0002 Å
• α: 90°
• β: 94.458 ± 0.002°
• γ: 90°
• Cell volume: 830.19 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No