Crystal data and structure refinement for SIZ-6
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 ...
5
Crystal structure of Cs2[Th(NO3)6]
... 4. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...the refinement led to unreasonable ...
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Crystal structure of N (quinolin 6 yl)hydroxylamine
... 160.0715; found: 160.0707. 5. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. The NH H atoms were located in a difference ...
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Crystal structure of (E) 4 benzylidene 6 phenyl 1,2,3,4,7,8,9,10 octahydrophenanthridine
... 7. Refinement Crystal data, data collection and structure refinement details are summarized in Table 4. Hydrogen atoms were positioned geometrically (C—H = 0.95–0.99 A ˚ ) and ...
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Synthesis and crystal structure of a new magnesium phosphate Na3RbMg7(PO4)6
... 4. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...The refinement was performed on the basis of electric neutrality ...
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Crystal structure of the solid solution Ba8 35Pb0 65(B3O6)6
... 5. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...the structure (Wyckoff positions 3a and 6c), only those of M1 at 3a ...
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Crystal structure of 1,3 bis(2,3 dimethylquinoxalin 6 yl)benzene
... 6. Refinement Crystal data, data collection and structure refinement details are summarized in Table 1. A structural model consisting of half of the target molecule per ...
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Crystal structure of Na2HfSi2O7 by Rietveld refinement
... phase are slightly smaller than those of parakeldyshite, and the volume of the cell is 0.8% smaller. For the Na 2 HfSi 2 O 7 phase, the Hf1O 6 octahedral and the Si2O 4 tetrahedral volumes are about the same as ...
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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 2 aminopyridinium 6 chloronicotinate
... Geometry . Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into ...
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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 ...
146
Single Crystal Automated Refinement (SCAR): A Data-Driven Method for Solving Inorganic Structures
... employs data mining and machine learning. Machine learning and data mining have been successfully applied to materials problems across various ...classify crystal structures of inorganic ...reliable ...
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Crystal structure of 1 (2,4 dihydroxy 6 methylphenyl)ethanone
... Refinement . Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The ...
7
Crystal structure of quinolinium 2 carboxy 6 nitrobenzoate monohydrate
... Refinement . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The ...
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Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate
... Special details Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for ...
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Crystal structure of 8 hydroxyquinolinium 2 carboxy 6 nitrobenzoate monohydrate
... Refinement . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The ...
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Crystal structure of ethyl 2 chloro 6 methylquinoline 3 carboxylate
... Refinement . Refinement of F 2 against ALL reflections. The weighted R -factor wR and goodness of fit S are based on F 2 , conventional R -factors R are based on F , with F set to zero for negative F 2 . ...
6
Crystal structure of 2,4 di tert butyl 6 (hydroxymethyl)phenol
... Refinement . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The ...
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