Information card for entry 7049799

Structure parameters

• Formula: C44 H30 F6 Ir N4 O2 P S2
• Calculated formula: C44 H30 F6.006 Ir N4 O2 P S2
• Title of publication: Four-membered red iridium(iii) complexes with Ir-S-P-S structures: rapid room-temperature synthesis and application in OLEDs.
• Authors of publication: Su, Ning; Zheng, You-Xuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7583 - 7588
• a: 8.2405 ± 0.0007 Å
• b: 23.652 ± 0.002 Å
• c: 20.2737 ± 0.0018 Å
• α: 90°
• β: 93.404 ± 0.002°
• γ: 90°
• Cell volume: 3944.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No