Information card for entry 7227531

Structure parameters

• Chemical name: k161003
• Formula: C34 H27 F2 N O2 Pt Si
• Calculated formula: C34 H27 F2 N O2 Pt Si
• SMILES: [Pt]12(c3c(c4[n]2cccc4)c(F)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(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: 9.181 ± 0.003 Å
• b: 9.435 ± 0.003 Å
• c: 18.057 ± 0.005 Å
• α: 97.901 ± 0.005°
• β: 104.26 ± 0.005°
• γ: 102.17 ± 0.005°
• Cell volume: 1452 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0358
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No