Information card for entry 4112440

Structure parameters

• Formula: C24 H16 N2 Pt
• Calculated formula: C24 H16 N2 Pt
• SMILES: [n]12ccccc1c1[n]3[Pt]2(c2c(c3ccc1)cccc2)C#Cc1ccccc1
• 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: 11.888 ± 0.002 Å
• b: 11.705 ± 0.002 Å
• c: 14.454 ± 0.003 Å
• α: 90°
• β: 108.38 ± 0.03°
• γ: 90°
• Cell volume: 1908.7 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No