Information card for entry 4068595

Structure parameters

• Formula: C28 H23 Cl3 N P Pt S
• Calculated formula: C28 H23 Cl3 N P Pt S
• SMILES: s1c2c3[n](cccc3)[Pt](c2cc1)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 9.681 ± 0.0019 Å
• b: 17.426 ± 0.004 Å
• c: 16.268 ± 0.003 Å
• α: 90°
• β: 98.74 ± 0.03°
• γ: 90°
• Cell volume: 2712.6 ± 1 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No