Information card for entry 7036386

Structure parameters

• Formula: C26 H30 Br Cl2 F N2 Pt
• Calculated formula: C26 H30 Br Cl2 F N2 Pt
• SMILES: [Pt]1(Br)([N](=Cc2c(F)cccc2c2ccc(cc2)C)CC[N]1(C)C)c1ccc(cc1)C.ClCCl
• 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: 27.163 ± 0.002 Å
• b: 15.4717 ± 0.0011 Å
• c: 13.4316 ± 0.0011 Å
• α: 90°
• β: 109.882 ± 0.003°
• γ: 90°
• Cell volume: 5308.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No