Information card for entry 7208417

Structure parameters

• Formula: C28 H34 Br2 N2 O2 Pt
• Calculated formula: C28 H34 Br2 N2 O2 Pt
• SMILES: Brc1cc2C=[N]3[C@@H]4CCCC[C@H]4[N]4=Cc5cc(Br)cc(c5O[Pt]34Oc2c(c1)C(C)(C)C)C(C)(C)C.Brc1cc2C=[N]3[C@H]4CCCC[C@@H]4[N]4=Cc5cc(Br)cc(c5O[Pt]34Oc2c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: New phosphorescent platinum(ii) Schiff base complexes for PHOLED applications
• Authors of publication: Zhang, Jie; Zhao, Fangchao; Zhu, Xunjin; Wong, Wai-Kwok; Ma, Dongge; Wong, Wai-Yeung
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 32
• Pages of publication: 16448
• a: 29.187 ± 0.004 Å
• b: 13.3717 ± 0.0018 Å
• c: 15.048 ± 0.002 Å
• α: 90°
• β: 109.333 ± 0.002°
• γ: 90°
• Cell volume: 5541.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No