Information card for entry 4131187

Structure parameters

• Formula: C40 H59 Br3 Cl2 In N2 P Pt
• Calculated formula: C40 H59 Br3 Cl2 In N2 P Pt
• SMILES: [Pt]([In](Br)(Br)Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl
• 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: 9.7448 ± 0.0005 Å
• b: 11.3216 ± 0.0006 Å
• c: 21.2806 ± 0.0011 Å
• α: 99.695 ± 0.002°
• β: 98.538 ± 0.002°
• γ: 103.025 ± 0.002°
• Cell volume: 2211.9 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No