Information card for entry 4069535

Structure parameters

• Formula: C8 H11 Br2 N Pt
• Calculated formula: C8 H11 Br2 N Pt
• SMILES: [Pt]1(Br)(Br)([NH2]c2ccccc2)[CH2]=[CH2]1
• Title of publication: Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates
• Authors of publication: Dub, Pavel A.; Rodriguez-Zubiri, Mireia; Daran, Jean-Claude; Brunet, Jean-Jacques; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4764
• a: 12.6706 ± 0.0003 Å
• b: 9.6392 ± 0.0002 Å
• c: 17.766 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2169.84 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No