Information card for entry 4068594

Structure parameters

• Formula: C102 H84 Cl2 N4 O12 P2 Pt2 S2
• Calculated formula: C102 H84 Cl2 N4 O12 P2 Pt2 S2
• SMILES: c1cc2[Pt]([P](c3ccccc3)(c3ccccc3)c3cc4c(c(c3)Cc3cccc(Cc5cc(cc(Cc6c(c(C4)ccc6)OCc4ccccc4)c5OCc4ccccc4)[P](c4ccccc4)(c4ccccc4)[Pt]4(c5ccsc5c5cccc[n]45)[N]#CC)c3OCc3ccccc3)OCc3ccccc3)([n]3c(c2s1)cccc3)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, Structures, and Photoluminescent Properties of Cyclometalated Platinum(II) Complexes bearing Upper-Rim Phosphinated Calix[4]arenes
• Authors of publication: Lai, Siu-Wai; Chan, Queenie K.-W.; Han, Jie; Zhi, Yong-Gang; Zhu, Nianyong; Che, Chi-Ming
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 34
• a: 15.885 ± 0.003 Å
• b: 25.498 ± 0.005 Å
• c: 26.49 ± 0.005 Å
• α: 90°
• β: 104.78 ± 0.03°
• γ: 90°
• Cell volume: 10374 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1046
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No