Information card for entry 4112441

Structure parameters

• Formula: C24 H11 F5 N2 Pt
• Calculated formula: C24 H11 F5 N2 Pt
• SMILES: [Pt]12(c3c(c4[n]1c(c1[n]2cccc1)ccc4)cccc3)C#Cc1c(F)c(F)c(F)c(F)c1F
• Title of publication: Light-Emitting Tridentate Cyclometalated Platinum(II) Complexes Containing σ-Alkynyl Auxiliaries: Tuning of Photo- and Electrophosphorescence
• Authors of publication: Wei Lu; Bao-Xiu Mi; Michael C. W. Chan; Zheng Hui; Chi-Ming Che; Nianyong Zhu; Shuit-Tong Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4958 - 4971
• a: 11.088 ± 0.002 Å
• b: 9.964 ± 0.002 Å
• c: 17.186 ± 0.003 Å
• α: 90°
• β: 92.09 ± 0.03°
• γ: 90°
• Cell volume: 1897.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No