Information card for entry 4517526

Structure parameters

• Formula: C19 H15 F6 N7 Pt
• Calculated formula: C19 H15 F6 N7 Pt
• SMILES: [Pt]12([n]3ccccc3c3n1nc(c3)C(F)(F)F)n1ccn(c1c1[n]2nc(c1)C(F)(F)F)C(C)C
• Title of publication: Versatile Pt(II) Pyrazolate Complexes: Emission Tuning via Interplay of Chelate Designs and Stacking Assemblies.
• Authors of publication: Ko, Chang-Lun; Hung, Wen-Yi; Chen, Po-Ting; Wang, Tsai-Hui; Hsu, Hsiu-Fu; Liao, Jia-Ling; Ly, Kiet Tuong; Wang, Sheng Fu; Yu, Chang-Hung; Liu, Shih-Hung; Lee, Gene-Hsiang; Tai, Wun-Shan; Chou, Pi-Tai; Chi, Yun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 11.9498 ± 0.0002 Å
• b: 9.229 ± 0.0002 Å
• c: 18.3551 ± 0.0004 Å
• α: 90°
• β: 93.5512 ± 0.0005°
• γ: 90°
• Cell volume: 2020.4 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No