Crystal data and refinement for Structure 8
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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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 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 8 iodoquinolinium tetrachloridoaurate(III)
... In a 4 ml vial, HAuCl 4 ·3H 2 O (0.12 g, 0.33 mmol), 8-iodoquinoline (0.10 g, 0.39 mmol) and acetonitrile (2 ml) were combined and sonicated for 30 minutes. The 4 ml vial was placed in a 20 ml vial with 5 ml ...
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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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Crystal structure of 8 hydroxyquinoline: a new monoclinic polymorph
... Geometry . All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in ...
8
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 8 (4 methylphenyl) 2′ deoxyadenosine hemihydrate
... 2802, Crystal Ridge Road, Encinitas, California 92024-6615, USA, c Max Planck Institute for Biological Cybernetics Spemannstrasse 41, D-72076 Tu¨bingen, Germany, and d Institut fu¨r Biochemie, Ernst-Moritz-Arndt ...
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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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Crystal structure of 8 hydroxyquinolinium 2 carboxy 6 nitrobenzoate monohydrate
... S4. Synthesis and crystallization The title compound was synthesized by taking at 1:1 ratio of 8-hydroxyquinoline and of 3-nitrophthalic acid was dissolved in a mixed solvent of methanol and water. The salt was ...
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Crystal structure of 8 bromo 4 oxo 4H chromene 3 carbaldehyde
... and crystal engineering (Auffinger et ...the crystal structures of monobrominated 3-formylchromones 6-bromo-4-oxo-4H-chromene-3-carbaldehyde (Ishikawa, 2014a) and 7-bromo-4-oxo-4H-chromene-3-carbaldehyde ...
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Crystal structure of 1,6 dithiacyclodeca cis 3,cis 8 diene (DTCDD)
... Geometry . All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in ...
5
Crystal structure of 1 (8 methoxy 2H chromen 3 yl)ethanone
... 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 ...
8
Synthesis, crystal structure, and cytotoxicity studies of titanacalix[4 and 8]arene complexes
... molecular structure is shown in Figure 2, with selected bond lengths and angles given in the ...The structure was identified as the complex {[TiL(O) 3 (Opentyl)] 2 (µ-OH)(µ- Cl)} (2), which contains a ...
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Crystal structure of fenbuconazole
... 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 ...
9
Crystal structure of pencycuron
... 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 ...
8
Crystal structure of nuarimol
... 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 metobromuron
... 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 ...
6