Information card for entry 4080010

Structure parameters

• Formula: C10 H23 Br2 N2 Pt
• Calculated formula: C10 H23 Br2 N2 Pt
• SMILES: C(C=[N+](CC)CC)[Pt](N(CC)CC)(Br)Br
• Title of publication: Platinum-Catalyzed Hydroamination of Ethylene: Study of the Catalyst Decomposition Mechanism
• Authors of publication: Béthegnies, Aurélien; Daran, Jean-Claude; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 673
• a: 7.6259 ± 0.0005 Å
• b: 10.0665 ± 0.0007 Å
• c: 10.3029 ± 0.0007 Å
• α: 83.737 ± 0.003°
• β: 89.752 ± 0.003°
• γ: 78.724 ± 0.003°
• Cell volume: 770.9 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No