Information card for entry 7707731

Structure parameters

• Chemical name: Ir(piq)2(acac)
• Formula: C35 H27 Ir N2 O2
• Calculated formula: C35 H27 Ir N2 O2
• Title of publication: New phosphorescent iridium(III) dipyrrinato complexes: synthesis, emission properties and their deep red to near-infrared OLEDs.
• Authors of publication: Zhang, Hongyang; Wang, Haitao; Tanner, Kevin; Schlachter, Adrien; Chen, Zhao; Harvey, Pierre D.; Chen, Shuming; Wong, Wai-Yeung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 30
• Pages of publication: 10629 - 10639
• a: 10.6958 ± 0.0006 Å
• b: 18.4049 ± 0.0012 Å
• c: 14.5378 ± 0.0009 Å
• α: 90°
• β: 106.254 ± 0.006°
• γ: 90°
• Cell volume: 2747.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No