Information card for entry 7109107

Structure parameters

• Formula: C30 H31 F5 N P Pt
• Calculated formula: C30 H31 F5 N P Pt
• SMILES: [Pt]1([P](C(C)(C)C)(C(C)(C)C)c2c(ccc3cccc1c23)C)([n]1ccccc1)c1c(c(c(c(c1F)F)F)F)F
• 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: 17.6094 ± 0.0002 Å
• b: 16.044 ± 0.0002 Å
• c: 19.7637 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5583.74 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No