Information card for entry 4344874

Structure parameters

• Formula: C60 H74 Ir2 N6 O7
• Calculated formula: C60 H74 Ir2 N6 O7
• SMILES: [Ir]123([n]4cccnc4c4ccc(cc24)C(C)(C)C)([n]2ccc[n]4[Ir]56([n]7cccnc7c7ccc(cc67)C(C)(C)C)([O]=C(C=C(O5)C)C)c5c(c24)c3cc(c5)C(C)(C)C)[O]=C(C)C=C(O1)C.O1CCCC1.O1CCCC1.O.O
• Title of publication: From Mononuclear to Dinuclear Iridium(III) Complex: Effective Tuning of the Optoelectronic Characteristics for Organic Light-Emitting Diodes.
• Authors of publication: Yang, Xiaolong; Xu, Xianbin; Dang, Jing-Shuang; Zhou, Guijiang; Ho, Cheuk-Lam; Wong, Wai-Yeung
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1720 - 1727
• a: 30.262 ± 0.003 Å
• b: 13.6023 ± 0.0012 Å
• c: 32.983 ± 0.003 Å
• α: 90°
• β: 116.883 ± 0.011°
• γ: 90°
• Cell volume: 12110 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1253
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No