Information card for entry 7247241

Structure parameters

• Formula: C17 H11 F3 N4 O4 Pt S
• Calculated formula: C17 H11 F3 N4 O4 Pt S
• SMILES: [Pt]12(OC#N)[n]3c(cccc3)c3[n]1c(ccc3)c1cccc[n]21.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Reversible and irreversible stimuli-responsive chromism of a square-planar platinum(ii) salt
• Authors of publication: Li, Depeng; Guan, Qingqing; Hu, Xiaoyun; Su, Yuhong; Su, Zhen
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 24878 - 24886
• a: 13.9994 ± 0.001 Å
• b: 19.0666 ± 0.0015 Å
• c: 6.7719 ± 0.0005 Å
• α: 90°
• β: 95.207 ± 0.007°
• γ: 90°
• Cell volume: 1800.1 ± 0.2 ų
• Cell temperature: 199.98 ± 0.1 K
• Ambient diffraction temperature: 199.98 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No