Information card for entry 7120265

Structure parameters

• Chemical name: BS-Pt
• Formula: C28 H22 Cl N3 Pt
• Calculated formula: C28 H22 Cl N3 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)ccc(N(c1ccccc1)c1ccccc1)c2)(Cl)[n]1ccccc1
• Title of publication: Highly efficient electroluminescent Pt(II) ppy-type complexes with monodentate ligands
• Authors of publication: Zhao, Jiang; Liu, Boao; Feng, Zhao; Dang, Feifan; Yang, Xiaolong; Zhou, Guijiang; Yong, Wu; Wu, Zhaoxin; Wong, Wai-Yeung (Raymond)
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.2191 ± 0.0003 Å
• b: 8.2286 ± 0.0003 Å
• c: 28.0195 ± 0.001 Å
• α: 90°
• β: 94.45 ± 0.003°
• γ: 90°
• Cell volume: 2349.03 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No