Information card for entry 7021840

Structure parameters

• Formula: C33 H29 F3 N O2 P Pt
• Calculated formula: C33 H29 F3 N O2 P Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(cccc1)c1ccc(C)cc1)(OC(=O)C(F)(F)F)C
• 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: 10.3756 ± 0.0004 Å
• b: 11.2883 ± 0.0004 Å
• c: 14.2333 ± 0.0005 Å
• α: 87.582 ± 0.003°
• β: 73.443 ± 0.003°
• γ: 69.265 ± 0.004°
• Cell volume: 1491.22 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No