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Axs quazar apex 2

Manufactured by Bruker

The AXS Quazar APEX II is a single crystal X-ray diffractometer designed for materials characterization. It features a high-performance X-ray source and advanced optical components to enable precise and reliable data collection. The core function of the AXS Quazar APEX II is to provide researchers with a comprehensive solution for studying the atomic and molecular structure of crystalline materials.

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2 protocols using axs quazar apex 2

1

Crystallographic Analysis of Organometallic Complex

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Crystal data were collected at 253 K on a Bruker AXS Quazar APEX II diffractometer using a 30 W air-cooled microfocus source (ImS) with focusing multilayer optics using MoKα radiation (wavelength = 0.71073 Å). Phi- and omega-scans were used. The structure was solved using intrinsic phasing method (ShelXT).36 All non-hydrogen atoms were refined anisotropically using the least-square method on F2.37 Solvent molecule was disordered. Several restraints (SAME, SIMU, DELU) were applied to refine this molecule and to avoid the collapse of the structure during the least-squares refinement by the large anisotropic displacement parameters.
Empirical formula: C41H28N5O4PRe, CF3O3S, CHCl3; Formula weight: 1140.29; Crystal system: triclinic; Space group: P 1; Unit cell dimensions: a = 12.9001(9) Å, b = 14.1290(9) Å, c = 14.1372(10) Å, α = 68.331(2)°, β = 77.247(2)°, γ = 71.348(2)°; V: 2253.4(3) Å3; Z = 2; Density (calculated): 1.681 Mg/m3; Crystal size: 0.260×0.040×0.040 mm3; Reflections collected/Independent: 67667/9181; [R(int)=0.0994]; Data/restraints/parameters: 9181/132/614; Final R1 indices [I>2σ(I)] = 0.0423; wR2 (all data) = 0.1017; Largest diff. peak and hole: 0.832 and −0.992 e.Å−3. Supplementary crystallographic data for CCDC-2019719 can be obtained free of charge from The Cambridge Crystallographic Data Centre via https://www.ccdc.cam.ac.uk/structures/.
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2

Detailed Crystallographic Data Analysis

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Crystal data were collected at low temperature (193K) on a Bruker-AXS SMART APEX II diffractometer (Ber + Lau -) and on a Bruker AXS Quazar APEX II diffractometer (Ber + AOT -, Ber + Tos -, Ber + TPB -, Ber + DS -, Ber + NTf2 -) using a 30 W air-cooled microfocus source (ImS) with focusing multilayer optics using MoK radiation (wavelength = 0.71073 Å). Phi-and omega-scans were used. The structures were solved by direct methods (ShelXS-97) or using an intrinsic phasing method (ShelXT). 51, 52 All non-hydrogen atoms were refined anisotropically using the least-square method on F 2 . 52 ORTEP molecular views are given in Figures S4 to S8 (Supplementary Information). Crystallographic data are given in Table 4. CCDC supplementary crystallographic data for the structures can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or for the CCDC, 12 Union Road, Cambridge CB2 1EZ, UK; fax: +441223 336033; e-mail: deposit@ccdc.cam.ac.uk).
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