Information card for entry 7109113

Structure parameters

• Formula: C30 H29 F5 N P Pt
• Calculated formula: C30 H29 F5 N P Pt
• SMILES: [Pt]1([P]2(c3c4c(ccc3C1)cccc4CC2(C)C)C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)[n]1ccccc1
• Title of publication: Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes
• Authors of publication: Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3446
• a: 21.6091 ± 0.0009 Å
• b: 42.7935 ± 0.0014 Å
• c: 11.5194 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10652.3 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No