Information card for entry 4069533

Structure parameters

• Formula: C22 H43 Br3 N P Pt
• Calculated formula: C22 H43 Br3 N P Pt
• SMILES: [Pt](Br)(Br)(Br)[NH2]c1ccccc1.[P+](CCCC)(CCCC)(CCCC)CCCC
• 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: 22.727 ± 0.005 Å
• b: 22.727 ± 0.005 Å
• c: 11.58 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5981 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No