Information card for entry 7036387

Structure parameters

• Formula: C25 H28 Br F N2 Pt
• Calculated formula: C25 H28 Br F N2 Pt
• SMILES: [Pt]1(Br)([N](=Cc2c(F)cccc2c2ccc(cc2)C)CC[N]1(C)C)c1ccc(C)cc1
• 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: 26.7638 ± 0.0014 Å
• b: 13.0691 ± 0.0007 Å
• c: 15.8211 ± 0.0008 Å
• α: 90°
• β: 117.052 ± 0.002°
• γ: 90°
• Cell volume: 4928.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0883
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No