Information card for entry 4080011

Structure parameters

• Formula: C10 H10 Br2 N2 Pt
• Calculated formula: C10 H10 Br2 N2 Pt
• SMILES: [Pt](Br)(Br)([n]1ccccc1)[n]1ccccc1
• 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: 9.4963 ± 0.0004 Å
• b: 17.4039 ± 0.0006 Å
• c: 15.2525 ± 0.0006 Å
• α: 90°
• β: 97.676 ± 0.004°
• γ: 90°
• Cell volume: 2498.23 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No