The crystal data of CN-CNIr were collected at 100 K on a Rigaku Oxford Diffraction Supernova Dual Source, Cu at Zero equipped with an AtlasS2 CCD using Cu Kα radiation. Data reduction was carried out using the diffractometer's software (Agilent Technologies, CrysAlisPRO, version, 2013). The structures were solved by direct methods using Olex2 software (Dolomanov et al., 2009 ), and the nonhydrogen atoms were located from the trial structure and refined anisotropically with SHELXL-2018 (Kratzert et al., 2015 (link)) using a full-matrix least squares procedure based on F2. The weighted R factor, wR, and goodness-of-fit S values were obtained based on F2. The hydrogen (H) atom positions were fixed geometrically at the calculated distances and allowed to ride on their parent atoms.
Oxford diffraction supernova dual source
Manufactured by Rigaku
The Oxford Diffraction Supernova Dual Source is a versatile X-ray diffraction system that features two independent X-ray sources. It is designed to provide high-quality data for a wide range of crystallographic applications.
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Lab products found in correlation
Crysalis pro, by Agilent Technologies (2 mentions)
V 730 spectrophotometer, by Jasco (1 mentions)
Ods a column, by YMC (1 mentions)
Avance 3, by Bruker (1 mentions)
P 2000 polarimeter, by Jasco (1 mentions)
Nicolet is50 spectrometer, by Thermo Fisher Scientific (1 mentions)
Sephadex lh 20 gel, by GE Healthcare (1 mentions)
Chirascan plus spectrometer, by Applied Photophysics (1 mentions)
Atlass2 ccd, by Rigaku (1 mentions)
3 protocols using oxford diffraction supernova dual source
1
Crystal Structure Determination of CN-CNIr
2
Comprehensive Analytical Characterization of Compounds
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UV spectra were attained on a JASCO V-730 spectrophotometer. IR data were obtained on a Nicolet iS50 spectrometer (Thermo Fisher Scientific, United States) using KBr pellets. Optical rotations were measured using a JASCO P-2000 polarimeter at room temperature. HRESIMS spectra were recorded with an AB Sciex Triple-TOF 5600+ apparatus. ECD measurements were conducted on a Chirascan Plus spectrometer (Applied Photophysics, United Kingdom). 1D and 2D NMR spectra were obtained on a Bruker AVANCE III 500 or 600 MHz instruments. Chemical shifts were reported in ppm (δ) with coupling constants (J) in hertz. The residual signals of CDCl3 were used as references. Single crystal X-ray diffraction (Rigaku Oxford Diffraction Supernova Dual Source) was used to measure the crystal structures. Silica gel (100–200 and 200–300 meshes, Qingdao Marine Chemical Co., Ltd., China), Sephadex LH-20 gel (GE Healthcare, Sweden), YMC ODS-A-HG gel (50 μm, YMC, Japan), and MCI gel (SaiPuRuiSi. Beijing, China) were used to perform column chromatography (CC). Semi-Preparative HPLC was performed on a Wufeng LC-100 apparatus (Shanghai Wufeng Co., Ltd., China) using photodiode array (PDA) UV analysis at 210 nm with a YMC-Pack ODS-A column (250 × 10 mm, 5 μm, 3 ml/min).
3
Crystal Data and Structure Analysis of Ir(III) Complexes
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Crystal data of Ir2, Ir3 were collected at 100 K and Ir7 at 293 K on a Rigaku Oxford Diffraction Supernova Dual Source equipped with an AtlasS2 CCD using Cu Kα radiation. Data reduction was carried out with the diffractometer's software (Agilent Technologies, CrysAlisPRO, Version 2013). The structures were solved by direct methods using Olex2 software, and the non-hydrogen atoms were located from the trial structure and refined anisotropically with SHELXL-2018 using a full-matrix least squares procedure based on in Table 3. The device C1 based on Ir3 at a doping level of 10 wt% showed the highest EL efficiency among all these DR-NIR emi�ng devices with a EQE of 2.8%. The EQEs afforded by the DR-NIR OLED devices based on our designed Ir(III) dipyrrinato complexes are be�er than many DR-NIR OLEDs based on the Ir(III) complexes employing the cyclometalated ligands with extended conjuga�ons, [41] [42] [43] but are s�ll not yet compe��ve to the devices based on the current state-of-the-art Ir(III) emi�ers. 19, [44] [45] Changing the structures of the cyclometalated
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