Information card for entry 7126690

Structure parameters

• Formula: C52 H32 Cl2 Ir N3 O S2
• Calculated formula: C52 H32 Cl2 Ir N3 O S2
• Title of publication: Efficient near-infrared luminescence from bis-cyclometalated iridium(iii) complexes with rigid quinoline-derived ancillary ligands.
• Authors of publication: Lai, Po-Ni; Yoon, Sungwon; Teets, Thomas S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8754 - 8757
• a: 10.9146 ± 0.0016 Å
• b: 12.9032 ± 0.0019 Å
• c: 14.947 ± 0.002 Å
• α: 91.818 ± 0.001°
• β: 106.55 ± 0.001°
• γ: 94.174 ± 0.001°
• Cell volume: 2009.4 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No