Information card for entry 4131189

Structure parameters

• Formula: C39 H57 I3 In N2 P Pt
• Calculated formula: C39 H57 I3 In N2 P Pt
• SMILES: [Pt]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(I)[In](I)I
• 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: 19.3025 ± 0.001 Å
• b: 14.6591 ± 0.0007 Å
• c: 15.6982 ± 0.0008 Å
• α: 90°
• β: 105.338 ± 0.002°
• γ: 90°
• Cell volume: 4283.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No