Information card for entry 7109112

Structure parameters

• Formula: C31 H36 N P Pt
• Calculated formula: C31 H36 N P Pt
• SMILES: [Pt]12(c3c(c4c2cccc4C)ccc2c3c([P]1(C(C)(C)C)C(C)(C)C)c(cc2)C)[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: 11.0997 ± 0.0008 Å
• b: 12.1213 ± 0.0007 Å
• c: 19.413 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2611.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No