Information card for entry 4333156

Structure parameters

• Formula: C37 H28 Cl2 F2 N4 O3 Pt
• Calculated formula: C37 H28 Cl2 F2 N4 O3 Pt
• SMILES: c1(ccc(cc1)F)N(c1ccc(cc1)F)c1ccc(cc1)c1nnc(c2cc3[Pt]4([n]5c(c3cc2)cccc5)OC(=CC(=[O]4)C)C)o1.C(Cl)Cl
• 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: 12.5305 ± 0.0007 Å
• b: 16.5828 ± 0.0009 Å
• c: 18.2259 ± 0.001 Å
• α: 68.083 ± 0.001°
• β: 87.436 ± 0.001°
• γ: 81.322 ± 0.001°
• Cell volume: 3473 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No