Information card for entry 7036385

Structure parameters

• Formula: C18 H20 Br F N2 Pt
• Calculated formula: C18 H20 Br F N2 Pt
• SMILES: [Pt]12(Br)[N](CC[N]1=Cc1c(c3c2cc(cc3)C)cccc1F)(C)C
• Title of publication: A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligands.
• Authors of publication: Aullón, Gabriel; Crespo, Margarita; Font-Bardia, Mercè; Jover, Jesús; Martínez, Manuel; Pike, Jack
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 17968 - 17979
• a: 10.1118 ± 0.001 Å
• b: 28.201 ± 0.003 Å
• c: 15.4709 ± 0.0013 Å
• α: 90°
• β: 127.177 ± 0.005°
• γ: 90°
• Cell volume: 3515.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No