Crystal data and refinement for Structure 1
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 a 2:1 co crystal of meloxicam with acetylendicarboxylic acid
... 6. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. All H atoms were initially located in a difference Fourier map. The ...
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Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures
... single crystal data to solve the crystal structures of inorganic, extended solids called “Single Crystal Automated Refinement ...using data mining and machine-learning methods ...
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Crystal structure of 1 [(2,4,6 triisopropylphenyl)sulfonyl]aziridine
... S2. Refinement Crystal data, data collection and structure refinement details are summarized in Table 1. Hydrogen atoms were located from difference Fourier maps, refined ...
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Crystal structure of 3 amino 1 propylpyridinium bromide
... 6. Refinement The details of crystal data, data collection and structure refinement are summarized in Table ...of refinement, the H atoms bound to atom N2 were refined ...
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Crystal structure of 1 methylimidazole 3 oxide monohydrate
... 6. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...The data were not of a sufficient quality to reliably determine the ...
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Crystal structure of Na2HfSi2O7 by Rietveld refinement
... The structure of triclinic disodium hafnium disilicate, Na 2 HfSi 2 O 7 , has been determined by laboratory powder X-ray diffraction and refined by the Rietveld ...The structure is a framework made of ...
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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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Crystal structure of the co-crystal butylparaben– isonicotinamide (1/1)
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ...
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Crystal structure of the co crystal butylparaben–isonicotinamide (1/1)
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ...
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Crystal structure of 1 methoxypyrene
... the 1-, 3-, 6- and 8-positions, pyrene is often functionalized at these positions in order to improve its ...compound, 1-methoxypyrene, appears in the literature as an important intermediate in the ...
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Section 1: Crystal Structure
... a 1 , y is a fractional multiple of a2 and z is a fractional multiple of ...(1/x 1/y 1/z) and reduce this set to a similar one having the smallest integers by multiplying by a common ...points ...
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Data Mining Chemistry and Crystal Structure
... TVDI B TDFOBSJP JU XPVME CF SFBTPOBCMF UP VTF JPOJD TJNJMBSJUZ UP HBUIFS EBUB GSPN BDSPTT TJNJMBS DIFNJTUSJFT 8F DPVME JODMVEF EBUB GSPN JPOT XJUI IJHI JPOJD TVCTUJUVUJPOBM TJNJMBSJUZ MJ[r] ...
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R Phase Structure Refinement Using Electron Diffraction Data
... Another reason could be the presence of a small amount of the B19 martensite in the R matrix. In the present work, the same material as in 6) was used, and some traces of the B19 martensite were indeed occasionally ...
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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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Crystal structure of febuxostat–acetic acid (1/1)
... the crystal structure of febuxostat form Q, febuxostat pyridine solvate and methanol solvate has been ...the crystal structure of febuxostat acetic acid ...(Fig. 1), which is linked by ...
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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 ...structures 1 . The knowledge obtained from accurate protein structure prediction could im- ...
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Crystal structure of 1 methanesulfonyl 1,2,3,4 tetrahydroquinoline
... unpublished data). As a part of our study we have undertaken crystal structure determination of the title compound and the results are compared with crystal structure of 1- ...
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Crystal structure of 1 (2,4 dimethylphenyl)urea
... Urea and its derivatives are important key starting materials for the construction of biologically important heterocycles (Ramalingan & Kwak, 2008; Ramalingan et al., 2010; Yang et al., 2013; Safari & Gandomi-Ravandi, ...
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Crystal structure of 1 tosyl 1,2,3,4 tetrahydroquinoline
... unpublished data). As a part of our study we have undertaken crystal structure determination of the title compound and the results are presented ...
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