Information card for entry 7015439

Structure parameters

• Formula: C31 H31 Ir N4 O4
• Calculated formula: C31 H31 Ir N4 O4
• SMILES: [Ir]123(OC(=O)c4[n]1cccn4)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31.OCC.OCC
• Title of publication: Synthesis, characteristics and photoluminescent properties of novel Ir-Eu heteronuclear complexes containing 2-carboxyl-pyrimidine as a bridging ligand.
• Authors of publication: Lian, Ping; Wei, Huibo; Zheng, Chen; Nie, Yifan; Bian, Jiang; Bian, Zuqiang; Huang, Chunhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5476 - 5482
• a: 15.967 ± 0.003 Å
• b: 12.373 ± 0.002 Å
• c: 15.562 ± 0.003 Å
• α: 90°
• β: 113.475 ± 0.004°
• γ: 90°
• Cell volume: 2820 ± 0.9 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.0251
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No