Information card for entry 7234390

Structure parameters

• Formula: C36 H39 N3 O Pt
• Calculated formula: C36 H39 N3 O Pt
• SMILES: [Pt]123c4c(c5cccc6n(c([n]2c56)c2c(O1)cccc2)CC(CC)CCCC)cc(cc4c1[n]3cccc1)C(C)(C)C
• Title of publication: Strongly phosphorescent platinum(ii) complexes supported by tetradentate benzazole-containing ligands
• Authors of publication: Bin Wang; Feng Liang; Hailiang Hu; Yuan Liu; Zhenhui Kang; Liang-Sheng Liao; Jian Fan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 8212 - 8218
• a: 6.9855 ± 0.0008 Å
• b: 14.6481 ± 0.0017 Å
• c: 29.888 ± 0.003 Å
• α: 90°
• β: 94.743 ± 0.002°
• γ: 90°
• Cell volume: 3047.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No