Smart ccd diffractometer

Manufactured by Bruker

Sourced in Germany

The SMART CCD diffractometer is a laboratory instrument designed for single-crystal X-ray diffraction analysis. It utilizes a Charge-Coupled Device (CCD) detector to collect diffraction data from crystalline samples. The core function of the SMART CCD diffractometer is to measure the positions and intensities of X-ray reflections from a single-crystal sample, which can be used to determine the crystal structure.

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Lab products found in correlation

Lambda 950 spectrometer, by PerkinElmer (2 mentions) Maya spectrometer, by OceanOptics (2 mentions) Eclipse spectrofluorimeter, by Agilent Technologies (1 mentions) Tecnai f20 microscope, by Thermo Fisher Scientific (1 mentions) Sadabs, by Bruker (1 mentions) Tga dsc 3 apparatus, by Mettler Toledo (1 mentions) Supernova, by Agilent Technologies (1 mentions) Crysalis pro, by Agilent Technologies (1 mentions) Spectrum 100, by PerkinElmer (1 mentions) Fls920p, by Edinburgh Instruments (1 mentions) Jsm 7500f system, by JEOL (1 mentions) Eclipse 400 spectrometer, by JEOL (1 mentions) Sadabs program, by Bruker (1 mentions)

Spelling variants of this product

SMART APEX II CCD diffractometer (78 citations) SMART 1000 CCD diffractometer (18 citations) SMART CCD area-detector diffractometer (13 citations) SMART APEX CCD area-detector diffractometer (9 citations) SMART 1000 CCD area diffractometer (4 citations) SMART APEXIII CCD diffractometer (3 citations) SMART APEXII CCD X-ray diffractometer (3 citations) Axs SMART 1000 CCD diffractometer (2 citations) Smart 1000 CCD X-ray diffractometer (2 citations) Smart Breeze CCD diffractometer (2 citations)

33 protocols using smart ccd diffractometer

Structural Characterization of OPW-Ru Crystal

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A single crystal of OPW-Ru was mounted on a glass fiber with glue and transferred to a goniometer head. Data were collected at 293 K. A Bruker Smart CCD diffractometer was employed for crystal screening, unit cell determination, and data collection. The structure was solved by direct methods and refined by full-matrix least-squares techniques using the SHELX system of programs: G.M. Sheldrick, SHELXL-97, program for the solution of crystal structures, University of Göttingen, Göttingen, 1997. The absorption correction program SADABS was employed to correct the data for absorption.
The space group of P21/c (No. 14) was determined from the crystal systematic reflection conditions of the diffraction patterns. All non-hydrogen atoms were refined anisotropically. The hydrogen atoms attached to carbon atoms in the complex were generated and assigned isotropic thermal parameters, riding on their parent carbon atoms. A plot of the crystal structure is shown in Figure 1B. Crystallographic data for compound OPW-Ru are provided in Table 1. Selected bond distances and angles are listed in Supplemental Table 1.

Lozano G., Jimenez-Aparicio R., Herrero S, & Martinez-Salas E. (2016). Fingerprinting the junctions of RNA structure by an open-paddlewheel diruthenium compound. RNA, 22(3), 330-338.

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Single Crystal X-ray Diffraction Analysis

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Data were collected on a Bruker SMART CCD diffractometer using Mo Kα radiation (λ = 0.71073 Å). The structures were solved by direct methods and expanded via difference Fourier techniques with the SHELXL-97 program.

Yin J., Shi S., Wei J., He G., Fan L., Guo J., Zhang K., Xu W., Yuan C., Wang Y., Wang L., Pu X., Li W., Zhang D., Wang J., Ren X., Ma H., Shao X, & Zhou H. (2018). Earth-abundant and environment friendly organic–inorganic hybrid tetrachloroferrate salt CH3NH3FeCl4: structure, adsorption properties and photoelectric behavior. RSC Advances, 8(36), 19958-19963.

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Optical and Electrical Characterization of Devices

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Optical absorption and transmission measurements were carried out in a PerkinElmer Lambda 950 spectrometer. Powder XRD patterns were collected on a Bruker SMART-CCD diffractometer. PL spectra were recorded by using a Cary Eclipse spectrofluorimeter. The current–voltage characteristics of the device were performed by Keithley 2612B sourcemeter. The luminance was recorded by using a calibrated Newport 1936-R power meter with a 918D-SL-0D3R silicon photodetector. The EQE values were calculated using the modified coefficients since the emitting patterns were a little different to the Lambertian pattern. The EL spectra were measured via a Maya spectrometer (Ocean Optics) coupled to an optical fiber. TEM characterization was done on a FEI Tecnai F20 microscope.

Wu H., Zhang Y., Zhang X., Lu M., Sun C., Bai X., Zhang T., Sun G, & Yu W.W. (2017). Fine-Tuned Multilayered Transparent Electrode for Highly Transparent Perovskite Light-Emitting Devices. Advanced electronic materials, 4(1), 1700285.

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X-ray Crystallographic Analysis of Complexes

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The diffraction data of all complexes were obtained on a Bruker SMART CCD diffractometer (Mo Kα radiation and λ = 0.71073 Å) in Φ and ω scan modes. All structures were solved by direct methods followed by difference Fourier syntheses and then refined by full-matrix least-square techniques on F² using SHELXL³⁶. All other non-hydrogen atoms were refined with anisotropic thermal parameters. Hydrogen atoms were placed in the calculated position and refined in the isotropic direction using a riding model. Table S1 summarizes X-ray crystallographic data and refinement details of the complexes. Complete details can be found in the CIF files provided in the Supporting Information. The CCDC reference numbers are 1879618 for 1, 1879615 for 2, 1879617 for 3, and 1879616 for 4.

Mo K.Q., Ma X.F., Wang H.L., Zhu Z.H., Liu Y.C., Zou H.H, & Liang F.P. (2019). Tracking the Multistep Formation of Ln(III) Complexes with in situ Schiff Base Exchange Reaction and its Highly Selective Sensing of Dichloromethane. Scientific Reports, 9, 12231.

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Single Crystal X-Ray Structure Analysis

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The single crystals of complexes and ligand were carried out on a Bruker SMART CCD diffractometer using monochromated Mo Kα radiation (λ = 0.71073 Å) at room temperature. Cell parameters were retrieved using SMART software and refined using SAINT on all observed reflections. Data were collected using a narrow-frame method with scan widths of 0.30° in ω and an exposure time of 10 s/frame. The highly redundant data sets were reduced using SAINT and corrected for Lorentz and polarization effects. Absorption corrections were applied using SADABS supplied by Bruker. The structures were solved by direct methods and refined by full-matrix least-squares on F2 using the program SHELXS-97. The positions of metal atoms and their first coordination spheres were located from direct-methods E-maps; other non-hydrogen atoms were found in alternating difference Fourier syntheses and least-squares refinement cycles and, during the final cycles, refined anisotropically. Hydrogen atoms were placed in calculated position and refined as riding atoms with a uniform value of Uiso.

Wu Z.G., Jing Y.M., Lu G.Z., Zhou J., Zheng Y.X., Zhou L., Wang Y, & Pan Y. (2016). Novel Design of Iridium Phosphors with Pyridinylphosphinate Ligands for High-Efficiency Blue Organic Light-emitting Diodes. Scientific Reports, 6, 38478.

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Single-Crystal X-Ray Structural Analysis

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Diffraction data for the complex were collected on a Bruker SMART CCD diffractometer (Cu-Kα radiation and λ = 1.54 Å) in Φ and ω scan modes. The structures were solved by direct methods, followed by difference Fourier syntheses, and then refined by full-matrix least-squares techniques on F2 using SHELXL. All other non-hydrogen atoms were refined with anisotropic thermal parameters. Hydrogen atoms were placed at calculated positions and isotopically refined using a riding model. Table S1 (Single-Crystal X-Ray Crystallography, Related to STAR Method Details.) summarizes X-ray crystallographic data and refinement details for the complexes. The CCDC reference numbers are 2,182,566–2182568 for 1–3.

Li Y.L., Wang H.L., Zhu Z.H., Lu X.L., Liang F.P, & Zou H.H. (2022). Alkali metal-linked triangular building blocks assemble a high-nucleation lanthanoid cluster based on single-molecule magnets. iScience, 25(11), 105285.

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X-ray Crystallography of Rhenium Complexes

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Single crystals of [Re(L)(CO)₃] and [Re(HL)(CO)₃Cl] complexes were grown by slow
diffusion of hexane in a dichloromethane solution at 20 °C. Data
were collected on a Bruker SMART CCD diffractometer using a Mo Kα
monochromator (λ = 0.71073). Structure solution was carried
out using the Shelx-97 PC version program.⁶¹ Full-matrix least-square refinements on F² were performed
using the SHELXL-2014 program.^{62 (link)} All of
the non-hydrogen atoms were refined anisotropically using the full-matrix
least-squares method. Hydrogen atoms were included for structure factor
calculations after placing them at calculated positions. The atomic
coordinates and isotropic thermal parameters of [Re(L)(CO)₃] and [Re(HL)(CO)₃Cl] are given in the Supporting Information
(Table S1).

Sinha D., Sil S., Ray P.P, & Rajak K.K. (2020). Anthracene-Based Fluorophore and Its Re(I) Complexes: Investigation of Electrical Properties and Schottky Diode Behavior. ACS Omega, 5(45), 29465-29476.

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Single Crystal X-Ray Diffraction Analysis

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Bruker SMART CCD diffractometer

8581 measured reflections

2405 independent reflections

1876 reflections with I > 2σ(I)

R_int = 0.028

Paul R, & Bora S.J. (2015). Redetermined structure of 4,4′-bipyridine–1,4-phenylenediacetic acid (1/1) co-crystal. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 10), o799-o800.

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Structural Characterization of Compounds

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Crystals suitable for X-ray diffraction measurements were obtained, as described in the experimental section. Data were collected using a Bruker SMART CCD diffractometer. All the crystals were irradiated with graphite monochromatic Mo Kα radiation (λ = 0.71073 Å) at 298 K or 296 K in multi-scan mode. The structures of compound 2 were solved using SHELXS-97 and refined using full matrix least-square procedures on F² with SHELXL-97. The structures of compounds 3 and 4 were solved using SHELXS-2014 and refined by applying full matrix least-squares procedures on F² using SHELXL-2014.
Elemental analyses were carried out using a Flash EA 1112 analyzer. FT-IR spectra were obtained using a Thermos Nicolet iS20 spectrometer. The FT-IR spectra of compound 2–4 are shown in Fig. S1–S3.† The thermal decomposition behaviors of these compounds were investigated by differential scanning calorimetry (DSC) using CDR-4 (Shanghai Precision & Scientific Instrument Co., Ltd.). The TG-DTG experiment was carried out using a TGA/DSC 3+ apparatus (METTLER TOLEDO). The experimentally determined constant-volume energies of combustion were tested using a Parr-6200 bomb calorimeter (static jacket) with a type 6510 water handling system. Impact and friction sensitivities were determined using a BFH-10 BAM fall hammer and an FSKM-10 BAM friction apparatus, respectively.

Xia L.H., Wang Y.N., Yang X.M., Liang L.N., Li Z.M, & Zhang T.L. (2023). Cupric coordination compounds with multiple anions: a promising strategy for the regulation of energetic materials. RSC Advances, 13(32), 22549-22558.

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Structural Determination of Lanthanide Complexes

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All data were recorded on a Bruker SMART CCD diffractometer with MoKα radiation (λ = 0.71073 Å). The structures were solved by direct methods and refined on F² using Olex2 (Dolomanov, et al., 2009 ). CCDC 2047062 (1Dy), 2047063 (2Dy), 2047064 (2Y), 2047065 (3Dy), 2047066 (4Dy), 2058168 (5Dy), 2058169 (5Y), 2058167 (6Dy) and 2058170 (6Y) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB21EZ, UK; fax: (+44)1223-336-033; or deposit@ccdc.cam.ac.uk).

Jin P.B., Luo Q.C., Zhai Y.Q., Wang Y.D., Ma Y., Tian L., Zhang X., Ke C., Zhang X.F., Lv Y, & Zheng Y.Z. (2021). A study of cation-dependent inverse hydrogen bonds and magnetic exchange-couplings in lanthanacarborane complexes. iScience, 24(7), 102760.

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