Information card for entry 4069532

Structure parameters

• Formula: C18 H40 Br3 P Pt
• Calculated formula: C18 H40 Br3 P Pt
• SMILES: [Pt]1(Br)(Br)(Br)[CH2]=[CH2]1.[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: 9.0553 ± 0.0005 Å
• b: 19.8562 ± 0.0011 Å
• c: 13.7697 ± 0.0008 Å
• α: 90°
• β: 92.9 ± 0.002°
• γ: 90°
• Cell volume: 2472.7 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No