Information card for entry 4131188

Structure parameters

• Formula: C40 H59 Br3 Cl2 In N2 P Pt
• Calculated formula: C40 H59 Br3 Cl2 In N2 P Pt
• SMILES: [Pt]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([In](Br)Br)(Br)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClCCl
• Title of publication: Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.
• Authors of publication: Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 49
• Pages of publication: 16140 - 16147
• a: 11.252 ± 0.003 Å
• b: 13.5715 ± 0.0018 Å
• c: 14.616 ± 0.003 Å
• α: 90°
• β: 100.154 ± 0.009°
• γ: 90°
• Cell volume: 2197 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No