Information card for entry 7035733

Structure parameters

• Formula: C25 H27 Br F N Pt S
• Calculated formula: C25 H27 Br F N Pt S
• SMILES: [Pt]1(Br)([S](CC)CC)[N](=Cc2c(c3c1cc(C)cc3)cccc2F)Cc1ccccc1
• Title of publication: Kinetico-mechanistic studies on the formation of seven-membered [C,N]-platinacycles: the effect of methyl or fluoro substituents on the aryl ancillary ligands.
• Authors of publication: Crespo, Margarita; Font-Bardia, Mercè; Martínez, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19543 - 19552
• a: 7.5163 ± 0.0003 Å
• b: 29.5093 ± 0.0014 Å
• c: 10.5848 ± 0.0005 Å
• α: 90°
• β: 96.773 ± 0.002°
• γ: 90°
• Cell volume: 2331.33 ± 0.18 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: 0.0268
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No