Crystal data and structure refinement for compound 38 (Chapter 3)
Crystal structure of a 1,1,2,2 tetrachloroethane solvated hydrazinecarbothioamide compound
... Crystal data, data collection and structure refinement details are summarized in Table 2. The non-hydrogen atoms were refined with anisotropic thermal parameters. Hydrogen atoms on the ...
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New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K
... 4. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. Unlike the two previous refine- ments in space group Imam, the unit cell ...
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Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2′ bipyridine, MeSnI3·bipy
... 5. Refinement details Crystal data, data collection and structure refinement details are summarized in Table ...title compound crystallizes in the non-centrosymmetric, ...
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A Study X-ray Crystal Structure of Compound 2-[Methylthio(morpholino)methylene]malononitrile, C9H11N3OS
... suitable crystal of 2-[methylthio(morpholino)methylene] malononitrile was grown by slow evaporation of ethanol solution of the compound for ...The crystal data, X-ray data collection, ...
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Crystal structure of an organic–inorganic hybrid compound based on morpholinium cations and a β type Anderson polyanion
... Crystal data, data collection and structure refinement details are summarized in Table ...five crystal- lographically independent morpholinium cations are disor- dered, for which ...
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Crystal structure of Na2HfSi2O7 by Rietveld refinement
... Powder X-ray diffraction showed the compound to be isostructural to petarasite. The second step was the calcination of Hf–petarasite over 15 h at 1373 K under air which lead to a white powder. SEM observation of ...
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CiteSeerX — Structure Refinement of Five Layers Aurivillius Compound: Ba4Bi2Nb2Ti3O18
... diffraction data using the Rietveld ...the compound is found similar to that of other layered Aurivillius ...structural data the ferroelectric properties could be explained and strategies to find ...
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Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement
... hexagonal crystal system in space group P6 3 ...present structure, type I cations are statistically occupied by Ca and Ce whereas type II cations are solely occupied by ...
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Evaluation of Effects of Synthetic Compound and Mineral Admixture on Crystal Structure of Concrete
... 3. Result and Discussion 3.1. Elemental Characterization The data and spectrum of metal oxide composition of the pure cement and the additives are presented in Table 1, respectively. The obtained result showed ...
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Crystal structure of a tetrakis substituted pyrazine compound: 2,3,5,6 tetrakis(bromomethyl)pyrazine†
... was stirred vigorously and heated to reflux. As soon as the reflux set in, the mixture was irradiated for 5 h with two 200 W lamps fitted at least 10 cm at opposite sides of the flask. After the mixture was then cooled ...
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Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif
... Trigui et al., 2011). In one-dimensional lead halide hybrid compounds, the inorganic chains may be formed by one, two or three bridging halides, referred to as corner-, edge- and face-sharing polyhedra, respectively. ...
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X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound
... The sum of O1—Sr1—O7, O1—Sr1—O27 and O7— Sr1—O27 bond angles for Sr1 equals to 359.83(8)° indicates that Sr1 atom is located in the center of O1O7O27 plane. For the Sr5 atom, the four O8, O12, O19 and N6 atoms form one ...
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R Phase Structure Refinement Using Electron Diffraction Data
... atomic structure and not with the variation of the ...single crystal R-phase while the remaining probes orig- inate from boundary regions between the different structural domains and could thus be ignored ...
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Refinement of Mg alloys crystal structure via Nb-based heterogeneous substrates for improved performances
... We also demonstrate that the refinement of the grain structure corre- sponds to increased mechanical performances. In the case of cold chamber high pressure die casting products where the grain size is al- ready ...
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Protein Structure Refinement Algorithms
... dimensional structure of a protein from its amino acid sequence remains a major chal- lenge in structural ...protein structure prediction could im- prove our understanding of how proteins function, aid in ...
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Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures
... unknown compound, SCAR employs data mining and machine ...and data mining have been successfully applied to materials problems across various ...classify crystal structures of inorganic ...
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Synthesis, Crystal Structure and Electrical Properties of a New Mixed Compound (Na0 71Ag0 29)2CoP2O7
... 24 h, in order to eliminate volatile products. In a second step, it was progressively heated at 620˚C for 5 days. The sample was slowly cooled at 5˚C/24 h to 580˚C and fi- nally quenched to room temperature. Purple ...
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Crystal and magnetic structure of the La 1 x Ca x MnO 3 compound 0.11ÏxÏ0.175
... the structure we refine the neu- tron data using the P2 1 / c space ...The refinement strategy employed in this work was to first optimize the scale factor, background, unit-cell param- eters, and ...
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Insight into structure: function relationships in a molecular spin-crossover crystal, from a related weakly cooperative compound
... 1). This is consistent with the compound undergoing an extremely gradual thermal spin-transition. The midpoint T ½ can be estimated at 267±2 K, and 68% of the sample is in its high- spin state at 300 K if M T ...
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Crystal structure of a new hybrid antimony–halide based compound for possible non linear optical applications
... Water H atoms were found in difference Fourier maps and O—H distances were refined using DFIX and DANG soft restraints. The Flack parameter was refined despite the low Friedel pair coverage because the structure ...
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