Information card for entry 7036706

Structure parameters

• Formula: C17 H12 F5 N O Pt S2
• Calculated formula: C17 H12 F5 N O Pt S2
• SMILES: [Pt]1(c2ccsc2c2[n]1cccc2)([S](=O)(C)C)c1c(c(c(c(c1F)F)F)F)F
• 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: 6.7971 ± 0.0002 Å
• b: 10.3253 ± 0.0005 Å
• c: 12.4185 ± 0.0006 Å
• α: 84.911 ± 0.002°
• β: 85.894 ± 0.003°
• γ: 88.98 ± 0.003°
• Cell volume: 865.84 ± 0.06 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: 0.0556
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No