Information card for entry 7707730

Structure parameters

• Chemical name: Ir(ppy)2(dipyrrinato)
• Formula: C37 H27 Ir N4
• Calculated formula: C37 H27 Ir N4
• 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: 18.7181 ± 0.0015 Å
• b: 9.2996 ± 0.0005 Å
• c: 17.7227 ± 0.0016 Å
• α: 90°
• β: 111.834 ± 0.01°
• γ: 90°
• Cell volume: 2863.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No