Single crystal X-ray structure
Redetermination of the crystal structure of β zinc molybdate from single crystal X ray diffraction data
... Reagents were used as commercial sources with no further purification. An aqueous solution was prepared by a mixture of 0.047 g 2,2′-bipyridine, 0.015 g of molybdenum trioxide and 0.043 g of zinc acetate in 10 ml water. ...
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Redetermination of the crystal structure of R5Si4 (R = Pr, Nd) from single crystal X ray diffraction data
... seed crystal, and after optimizing the initial conditions of the growth, the crystal was pulled at a constant rate of 12 mm hour 1 ...grown single-crystal samples were characterized by powder ...
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Crystal structure of dicesium hydrogen citrate from laboratory single crystal and powder X ray diffraction data and DFT comparison
... the crystal structures of group 1 (alkali metal) citrate salts to understand the anion’s conformational flexibility, ionization, coordination tendencies, and hydrogen bonding, we have determined several new ...
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Crystal structure of 9,20 dimethyl 1,8,12,19 tetraazatetracyclo[17 3 1 02,7 013,18]tricosane dihydrate from synchrotron X ray data
... suitable single crystal of this compound for structure determination using X-ray ...and crystal structure of 3,14-dimethyl-2,6,13,17-tetraaza- ...
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Crystal Structure of ZnCl3 (Methyl (2 Pyridin 2 yl Ethyl) Ammonium)
... Single crystal X-ray diffraction analysis reveals that the structure of the title compound is characterized by an isolated structure, based on the protonated ...
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Studies on the Growth and Microhardness, Dielectrics and Photoconductivity of NLO Material Ammonium acid phthalate
... Single crystal X-ray diffraction studies for the grown crystals were carried out to determine the lattice parameters of the ammonium acid phthalate ...The structure of the grown ...
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Tricaesium citrate monohydrate, Cs3C6H5O7·H2O: crystal structure and DFT comparison
... has been solved and refined using laboratory X-ray single-crystal diffraction data, and optimized using density functional techniques. This compound is isostructural to the K + and Rb + ...
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X-ray crystal structure of endosulfan sulfate
... three‑dimensional structure of a chemical com‑ pound. In this study, the crystal structure of endosulfan sulfate was ...a single peak in the endosulfan sample, but only one peak was observed ...
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A study of L Asparagine Doped ADP single crystals
... the structure of the grown LAADP single crystal have been confirmed by power diffraction analysis using RIGAKU ULTIMA III X-Ray ...intense X ray wavelength ...LAADP ...
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Synthesis and Structure of New Mixed Silver Cobalt(II)/(III) Diphosphate - Ag3.68Co2(P2O7)2. Silver(I) Transport in the Crystal
... A single crystal specimen of the title material, approximate dimensions ...the X-ray crystallographic analysis. The X-ray intensity data were ...on crystal size) are ...
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SYNTHESIS AND CRYSTAL STRUCTURE OF A NEW Fe(II) α-DIOXIMATE WITH TRIAZINE
... The crystal structure of 1, determined by single crystal X-ray diffraction, revealed that Fe(II) atom is coordinated by four oximic nitrogen atoms of two DfgH and two nitrogen ...
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Manganese(II) sulfate tetrahydrate (ilesite)
... first X-ray single-crystal structure determination of the Mg and Fe compound was achieved by Baur (1962), followed by a detailed neutron diffraction structure analysis of a ...
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Synthesis, Characterization and Single Crystal Studies of 3-cyclopropyl-3, 4-dihydroquinazolin-2(1H)-one
... In conclusion, we report the synthesis of 3-cyclopropyl-3, 4-dihydroquinazolin-2(1H)-one 4. CDI is used as efficient reagent for cyclization of amines to quinazolin-2(1H)-one. Work up procedure is easily accessible for ...
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Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li4ZrF8, from single crystal X ray data
... 1967). The zirconium(IV) ion is surrounded by eight fluoride ions in a bicapped trigonal prism (Fig. 1), while both of the two unique lithium sites are surrounded by six fluoride ions in slightly distorted octahedra. ...
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Spectral and thermal studies of atenolol glycine single crystal
... The single crystal X-ray diffraction analysis on Glycine doped Atenolol single crystals was recorded using X-ray ...Table.2. Single crystal XRD reveals that ...
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Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single crystal X ray data
... 1992; Kuo et al., 2017; Ackerman et al., 2016). The elongation of bonds (Fig. 1), while decreasing the temperature from 296 K to 100 K, can be attributed to a decrease in the libration effect (German et al., 1987a). A ...
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`Pd20Sn13' revisited: crystal structure of Pd6 69Sn4 31
... on single crystal X-ray data and includes anisotropic displacement parameters for all atoms as well as standard uncertainties for the atomic coordinates, leading to higher precision and ...
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Single X ray diffraction: A technique to elucidate the structure of crystal
... molecular structure of a ...define structure of ...the structure of any material are Nuclear magnetic resonance (NMR), infrared spectroscopy (IR), Mass spectroscopy ...partial structure can be ...
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Zn13(CrxAl1−x)27 (x = 0 34–0 37): a new intermetallic phase containing icosahedra as building units
... interactions are found for Zn––Al, Cr––Al and Al––Al con- tacts, whose ––ICOHP values, respectively, are 7.12, 4.90, and 4.60 eV/bond. This shows that both homo- and het- eronuclear interactions are responsible for the ...
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Crystal and Molecular Structure of 4 Benzoyl 1,5 diphenyl 1H pyrazole 3 carbonitrile
... two phenyl fragments that connected to the pyrazole ring. Due to the strong steric hindrance, phenyl moieties are considerably twisted according to the pyrazole plane. Dihedral angles between the phenyl planes 1-2, 1-3, ...
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