Information card for entry 7036707

Structure parameters

• Formula: C21 H14 F5 N O Pt S2
• Calculated formula: C21 H14 F5 N O Pt S2
• SMILES: [Pt]1(c2c(c3[n]1c1ccccc1s3)cccc2)(c1c(c(c(c(c1F)F)F)F)F)[S](C)(C)=O
• 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: 7.5475 ± 0.0002 Å
• b: 11.4335 ± 0.0005 Å
• c: 11.8516 ± 0.0005 Å
• α: 99.861 ± 0.002°
• β: 98.362 ± 0.002°
• γ: 91.328 ± 0.003°
• Cell volume: 995.69 ± 0.07 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No