Information card for entry 7104565

Structure parameters

• Formula: C35 H35 Ir N4
• Calculated formula: C35 H35 Ir N4
• SMILES: c1cccc2c3ccccc3[Ir]34(c5c(c6cccc[n]36)cccc5)([n]12)[N](=C(c1ccccc1)N4C(C)C)C(C)C
• Title of publication: Amidinate-ligated iridium(III) bis(2-pyridyl)phenyl complex as an excellent phosphorescent material for electroluminescence devices.
• Authors of publication: Liu, Yu; Ye, Kaiqi; Fan, Yan; Song, Weifeng; Wang, Yue; Hou, Zhaomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3699 - 3701
• a: 11.357 ± 0.002 Å
• b: 8.6176 ± 0.0017 Å
• c: 31.532 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3086.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No