Information card for entry 7109110

Structure parameters

• Formula: C27 H30 F2 N P Pt
• Calculated formula: C27 H30 F2 N P Pt
• SMILES: [Pt]12(c3c(ccc4ccc(c([P]1(C(C)(C)C)C(C)(C)C)c34)C)c1cc(cc(c21)F)F)[N]#CC
• 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: 16.4339 ± 0.0002 Å
• b: 8.3534 ± 0.0001 Å
• c: 17.3846 ± 0.0003 Å
• α: 90°
• β: 97.5476 ± 0.0006°
• γ: 90°
• Cell volume: 2365.86 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No