Information card for entry 4131194

Structure parameters

• Formula: C44 H67 Cl3 In N2 P Pt
• Calculated formula: C44 H67 Cl3 In N2 P Pt
• SMILES: [Pt]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[N]c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1C(C)C)C(C)C)[In](Cl)(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: 26.842 ± 0.005 Å
• b: 11.4344 ± 0.0019 Å
• c: 18.267 ± 0.005 Å
• α: 90°
• β: 125.656 ± 0.012°
• γ: 90°
• Cell volume: 4555.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No