Information card for entry 4114855

Structure parameters

• Formula: C20 H12 F3 N3 O3 Pt S
• Calculated formula: C20 H12 F3 N3 O3 Pt S
• SMILES: [Pt]12([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)C#CC#C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Solvent-Induced Aggregation through Metal...Metal/π...π Interactions: Large Solvatochromism of Luminescent Organoplatinum(II) Terpyridyl Complexes
• Authors of publication: Vivian Wing-Wah Yam; Keith Man-Chung Wong; Nianyong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6506 - 6507
• a: 19.847 ± 0.004 Å
• b: 14.801 ± 0.003 Å
• c: 6.867 ± 0.0014 Å
• α: 90°
• β: 94.35 ± 0.03°
• γ: 90°
• Cell volume: 2011.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No