Information card for entry 4333158

Structure parameters

• Formula: C39 H34 Cl2 N4 O3 Pt
• Calculated formula: C39 H34 Cl2 N4 O3 Pt
• SMILES: c1cccc2c3ccc(cc3[Pt]3([n]12)OC(=CC(=[O]3)C)C)c1nnc(c2ccc(cc2)N(c2ccc(cc2)C)c2ccc(cc2)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: 9.9455 ± 0.0006 Å
• b: 13.5126 ± 0.0008 Å
• c: 14.3504 ± 0.0008 Å
• α: 105.207 ± 0.001°
• β: 103.146 ± 0.001°
• γ: 90.155 ± 0.001°
• Cell volume: 1808.25 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No