Information card for entry 4340810

Structure parameters

• Formula: C19 H14 F5 N O Pt S
• Calculated formula: C19 H14 F5 N O Pt S
• SMILES: [Pt]1(c2ccccc2c2[n]1cccc2)([S](=O)(C)C)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Photophysical Responses in Pt2Pb Clusters Driven by Solvent Interactions and Structural Changes in the Pb(II) Environment.
• Authors of publication: Berenguer, Jesús R; Lalinde, Elena; Martín, Antonio; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio; Shahsavari, Hamid R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8770 - 8785
• a: 27.1407 ± 0.0005 Å
• b: 12.2572 ± 0.0002 Å
• c: 11.7974 ± 0.0003 Å
• α: 90°
• β: 111.832 ± 0.002°
• γ: 90°
• Cell volume: 3643.15 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.019
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No