Crystal data and structure refinement for SIZ-4
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 ...
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Crystal structure of 4 formylpyridine semicarbazone hemihydrate
... S4. Refinement Crystal data, data collection and structure refinement details are summarized in Table ...1. Crystal data, data collection and ...
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Crystal structure of 2,2′ oxybis(4 methylquinoline)
... 6. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. The methyl H atoms were located from difference Fourier maps and their ...
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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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Crystal structure of 4 bromoanilinium 4 methylbenzenesulfonate
... 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 4 (4 methoxyphenoxy)benzaldehyde
... 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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Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement
... hexagonal crystal system in space group P6 3 ...XO 4 tetrahedra, with three of the oxygen atoms belonging to one column and the fourth to an adjacent column (Elliott, ...XO 4 tetrahedra (point group ...
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Crystal structure of piperidinium 4 nitrophenolate
... 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 1 (4 formylbenzylidene) 4 methylthiosemicarbazone
... 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 S (4 methylbenzyl) piperidinedithiocarbamate
... 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 . ...
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Crystal structure of N (4 chlorophenyl)benzothioamide
... 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 2 (4 methylbenzylidene)malononitrile
... 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 . ...
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Crystal structure of 4 acetamidobenzoic acid 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 4 methoxy N phenylbenzamide
... An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of ...
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Crystal structure of 4 sulfamoylanilinium dihydrogen phosphate
... PLATON (Spek, 2009); software used to prepare material for publication: SHELXL2013. Acknowledgements The authors thank the Sophisticated Analytical Instrumenta- tion Facility (SAIF), Indian Institute of Technology, ...
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Crystal structure of 4 acetylphenyl 3 methylbenzoate
... 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 morpholin 4 ium cinnamate
... 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 esds are taken into ...
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Crystal structure of 4 [(E) (4 nitrobenzylidene)amino]phenol
... Refinement . Refinement on F 2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F 2 , conventional ...
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Crystal structure of 4 (dimethylamino)pyridinium 4 aminobenzoate dihydrate
... 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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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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