A single crystal (0.12 × 0.09 × 0.17) was examined at 296 K. For the X-ray measurements, a single crystal of the complex was mounted on glass fiber and examined at 296 K on a Bruker D8 Venture APEX diffractometer equipped with Photon 100 CCD area detector using graphite-monochromatic Mo-Kα radiation [λ = 0.71073 Å]. In general, in the difference map, the hydrogen atoms were 109 visible. Hydrogen atoms bound to carbon were initially positioned geometrically, while the hydrogen atoms for the coordinated water molecules were located in the difference map. All hydrogen positions and isotropic displacement parameters were then refined in a separate cycle. Hydrogen positions were checked for feasibility by examination of the hydrogen-bonding network. Crystallographic data in the Cambridge Crystallographic Data Centre (CCDC, 12 Union Road, Cambridge CB2 IEZ, UK; e-mail: depos-it@ccdc.cam.ac.uk ) were deposited (CCDC number 2,164,543). Crystal data collection and structure refinement are given in Table 1 .
D8 venture apex
Manufactured by Bruker
The D8 Venture APEX is a state-of-the-art X-ray diffractometer designed for advanced materials research. It features a high-intensity microfocus X-ray source, a fast and efficient APEX II area detector, and a robust goniometer system. The D8 Venture APEX provides high-quality diffraction data for a wide range of sample types and applications.
Automatically generated - may contain errors
Lab products found in correlation
Crysalispro software, by Rigaku (1 mentions)
Xl30 sem, by Philips (1 mentions)
X shape, by STOE (1 mentions)
X red, by STOE (1 mentions)
Photon 100, by Bruker (1 mentions)
Avance 400, by Bruker (1 mentions)
Spectrum one spectrometer, by PerkinElmer (1 mentions)
Chns 932, by Leco (1 mentions)
Dpx 400, by Bruker (1 mentions)
5 protocols using d8 venture apex
1
Single Crystal X-ray Structural Analysis
2
X-ray Crystallographic Analysis of Metal Complexes
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Single crystals with the following dimensions (0.12 × 0.09 × 0.17) (Ni(II) complex) and (0.15 × 0.08 × 0.15) (Cu(II) complex) were examined. The X-ray measurements were performed on a single crystal of the complex was mounted on glass fiber and examined at 296 K. Bruker D8 Venture APEX diffractometer equipped with Photon 100 area detector using graphite-monochromate Mo-Kα radiation [λ = 0.71073 Å] was used for these measurements. Based on the difference map, the location of hydrogen atoms was determined. Hydrogen atoms bound to carbon were initially positioned geometrically, while the hydrogen atoms for the coordinated water molecules were found through the difference map. All hydrogen positions and isotropic displacement parameters were then refined in a separate cycle. Hydrogen positions were checked for feasibility by examination of the hydrogen-bonding network. Crystallographic data for the complexes were deposited in the Cambridge Crystallographic Data Centre (CCDC, 12 Union Road, Cambridge, UK; e-mail: depos-it@ccdc.cam.ac.uk ), CDC deposition number is 2163557 and 2152708. Crystal data collection and structure refinement are given in Table 1 .
3
Structural Analysis of Ni-PLTSC Single Crystal
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A single crystal of Ni-PLTSC with dimensions of 0.12 × 0.09 × 0.17 mm was separated and analyzed (Table 5 ). The X-ray investigation was done on a single crystal mounted on glass fiber and examined at 173 K. The instrument used was a Bruker D8 Venture APEX diffractometer equipped with Photon 100 area detector using graphite-monochromator Mo-Kα radiation [λ = 1.54184 Å]. The absorption corrections were done with the SCALE3 ABSPACK algorithm implemented in the CrysAlisPro software (Rigaku, Cedar Park, TX, USA) [59 ]. The locations of hydrogen atoms were obtained from a difference map. These atoms were initially positioned geometrically, while the hydrogen atoms for the coordinated water molecules were found through the difference map. The positions were then refined in separate cycles. Hydrogen positions were checked for feasibility by examination of the hydrogen-bonding network. The crystallographic data were deposited in the Cambridge Crystallographic Data Centre (CCDC, Cambridge, UK) under CCDC number 2262192. Crystal data collection and structure refinement are given in the following table.
4
Structural Analysis of Sr2Co3S2O3
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Single crystal x-ray diffraction of Sr2Co3S2O3 was performed in a Bruker Apex D8 Venture with a Mo-Kα (λ = 0.71073 Å) radiation at room temperature. The numerical absorption correction was completed by using XRED (v. 1.07, STOE & Cie GmbH) and X-shape (v. 1.01, STOE & Cie GmbH). The crystal structure was determined and refined by treating the single crystal x-ray diffraction data with the JANA2006 software35 . The powder x-ray diffraction was carried out in a focusing camera with a Co (λ = 1.78892 Å) radiation. The corresponding Rietveld refinement was also performed in JANA2006. Elemental analysis was conducted in an energy-dispersive x-ray spectroscopy (EDX) inside a scanning electron microscope (Philips SEM XL30).
5
Structural Characterization via Elemental and Spectral Analysis
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Elemental analysis was performed using a CHNS932 (Leco-USA) elemental analyzer. Melting points were recorded using an MPD Mitamura Riken Kogyo (Japan) electrothermal apparatus. Infrared (IR) spectra were recorded using a PerkinElmer Spectrum One Spectrometer in a 4000–400 cm−1 region. 1H and 13C{1H} NMR spectra were obtained using a Bruker Avance 400 and Bruker DPX 400 and were referenced to the residual 1H and 13C resonances of the solvent used. High-resolution mass spectrometry analysis was carried out using a Premier Waters Maldi-quadrupole time-of-flight (Q-TOF) mass spectrometer equipped with Z-spray electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI) sources.
Single-crystal X-ray diffraction data were collected using Bruker APEX D8 Venture diffractometer fitted with PHOTON 100 detector (CMOS technology) and fine-focus sealed tube with an X-ray source [Cu Kα radiation, α = 1.54178 Å]. Reflection intensities were integrated using SAINT software. Absorption correction was done using the multi-scan method.
The structure was solved by direct methods using SHELXS97 (Sheldrick, 1997)56 and difmap synthesis using SHELXS96 (Sheldrick, 1996).57 (link) All non-hydrogen atoms were refined anisotropically, and the hydrogen atoms were placed into the calculated positions.
Single-crystal X-ray diffraction data were collected using Bruker APEX D8 Venture diffractometer fitted with PHOTON 100 detector (CMOS technology) and fine-focus sealed tube with an X-ray source [Cu Kα radiation, α = 1.54178 Å]. Reflection intensities were integrated using SAINT software. Absorption correction was done using the multi-scan method.
The structure was solved by direct methods using SHELXS97 (Sheldrick, 1997)56 and difmap synthesis using SHELXS96 (Sheldrick, 1996).57 (link) All non-hydrogen atoms were refined anisotropically, and the hydrogen atoms were placed into the calculated positions.
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