Information card for entry 4068593

Structure parameters

• Formula: C86 H86 Cl2 N2 O4 P2 Pt2 S2
• Calculated formula: C86 H86 Cl2 N2 O4 P2 Pt2 S2
• SMILES: c1(cc2c(c(c1)Cc1cccc(c1OCCCC)Cc1cc(cc(c1OCCCC)Cc1c(OCCCC)c(ccc1)C2)[P](c1ccccc1)(c1ccccc1)[Pt]1(c2ccsc2c2[n]1cccc2)Cl)OCCCC)[P](c1ccccc1)(c1ccccc1)[Pt]1(c2c(c3[n]1cccc3)scc2)Cl
• 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: 25.505 ± 0.005 Å
• b: 11.556 ± 0.002 Å
• c: 28.183 ± 0.006 Å
• α: 90°
• β: 109.53 ± 0.02°
• γ: 90°
• Cell volume: 7829 ± 3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No