Information card for entry 7036705

Structure parameters

• Formula: C32 H17 F5 N2 Pt S2
• Calculated formula: C32 H17 F5 N2 Pt S2
• SMILES: [Pt]1(c2c(c3[n]1c1ccccc1s3)cccc2)(c1c(c(c(c(c1F)F)F)F)F)[n]1c2ccccc2sc1c1ccccc1
• Title of publication: Luminescent pentafluorophenyl-cycloplatinated complexes: synthesis, characterization, photophysics, cytotoxicity and cellular imaging.
• Authors of publication: Berenguer, J. R.; Pichel, J. G.; Giménez, N; Lalinde, E.; Moreno, M. T.; Piñeiro-Hermida, S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18839 - 18855
• a: 14.9033 ± 0.0005 Å
• b: 12.3384 ± 0.0004 Å
• c: 15.0986 ± 0.0004 Å
• α: 90°
• β: 105.414 ± 0.002°
• γ: 90°
• Cell volume: 2676.51 ± 0.15 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No