Single-crystal X-ray diffraction analyses were carried out on a Rigaku XtaLAB PRO MM007 diffractometer using graphite-monochromated Mo-Kα radiation. Structures were solved by direct methods and expanded using Fourier techniques. Non-hydrogen atoms were refined anisotropically. Hydrogen atoms were refined using the riding model. All calculations were performed using the Olex2 crystallographic software package except for the refinement, which was performed using SHELXT-2018. The structures were solved by direct methods with (SHELXT) and refined by full-matrix least-squares techniques against F2 (SHELXL-2018/3) using the Olex2 software package.
Xtalab pro mm007
Manufactured by Rigaku
The XtaLAB PRO MM007 is a single-crystal X-ray diffractometer designed and manufactured by Rigaku. It is a versatile and high-performance instrument used for the determination of crystal structures. The XtaLAB PRO MM007 employs a sealed microfocus X-ray source and a high-resolution, low-noise hybrid pixel array detector to collect diffraction data from small single crystals.
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Lab products found in correlation
2 protocols using xtalab pro mm007
1
Single-Crystal X-Ray Diffraction Analysis
2
Structural Analysis of Compounds 1-5
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Suitable crystals of 1-5 were selected for X-ray diffraction analysis. Crystallographic data were collected on the Rigaku XtalAB Pro MM007 DW diffractometer with graphite monochromated Cu Kα radiation (λ = 1.54184 Å).
The structures of crystals 1-5 were solved using direct methods and then refined using SHELXL-2014 and Olex2. 25 All the non-hydrogen atoms were refined anisotropically, except for those in the split positions. The uncoordinated solvent molecules in complexes could not be modeled properly, so the solvent molecules are removed using Solvent Mask in Olex2. In compounds 2-5, the cluster anion and sequestering agents ([2.2.2]crypt) have disordered structures, which were resolved using the mSplit process. A summary of the crystallographic data for the title compounds is listed in Supplementary Table S1, and selected bond distances and bond angles are given in Supplementary Table S2
The structures of crystals 1-5 were solved using direct methods and then refined using SHELXL-2014 and Olex2. 25 All the non-hydrogen atoms were refined anisotropically, except for those in the split positions. The uncoordinated solvent molecules in complexes could not be modeled properly, so the solvent molecules are removed using Solvent Mask in Olex2. In compounds 2-5, the cluster anion and sequestering agents ([2.2.2]crypt) have disordered structures, which were resolved using the mSplit process. A summary of the crystallographic data for the title compounds is listed in Supplementary Table S1, and selected bond distances and bond angles are given in Supplementary Table S2
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