Information card for entry 7227532

Structure parameters

• Chemical name: k161102
• Formula: C16 H13 F2 N O2 Pt
• Calculated formula: C16 H13 F2 N O2 Pt
• SMILES: [Pt]12(c3c(c4[n]2cccc4)c(F)cc(F)c3)OC(=CC(=[O]1)C)C
• Title of publication: Steric effect on excimer formation in planar Pt(ii) complexes.
• Authors of publication: Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 5486 - 5494
• a: 10.3177 ± 0.0009 Å
• b: 7.676 ± 0.0007 Å
• c: 19.0308 ± 0.0016 Å
• α: 90°
• β: 92.402 ± 0.001°
• γ: 90°
• Cell volume: 1505.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No