Information card for entry 4333160

Structure parameters

• Formula: C28 H24 N2 O2 Pt
• Calculated formula: C28 H24 N2 O2 Pt
• SMILES: c1(ccccc1)N(c1ccccc1)c1cc2[Pt]3([n]4c(c2cc1)cccc4)OC(=CC(=[O]3)C)C
• Title of publication: Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence
• Authors of publication: He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10922 - 10937
• a: 13.4384 ± 0.0007 Å
• b: 9.5829 ± 0.0005 Å
• c: 18.3541 ± 0.001 Å
• α: 90°
• β: 103.266 ± 0.001°
• γ: 90°
• Cell volume: 2300.5 ± 0.2 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: 0.0592
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No