Crystal data and refinement for Structure 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 ...
8
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 ...
11
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 (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 ...
16
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 ...
10
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 ...
9
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 ...
8
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 ...
8
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 ...
9
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 ...
9
Crystal Structure of Na 3 MoCl 6
... synthesis; crystal structure ...a crystal structure [1,2] which contains octahedral molybdenum clusters {Mo 6 } which are surrounded by eight inner (i) and six outer (a) chloride ...
5
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 tetrawickmanite, Mn2+Sn4+(OH)6
... The crystal structure of tetrawickmanite, ideally Mn 2+ Sn 4+ (OH) 6 [mangan- ese(II) tin(IV) hexahydroxide], has been determined based on single-crystal X-ray diffraction data ...
7
Crystal structure of 2,3′ bipyridine 2′,6′ dicarbonitrile
... 1. Chemical context Bipyridine ligands with the C ^ N chelating mode to transition metal ions, such as 2,3 0 -bipyridine, are considered to be strong candidates for the synthesis of blue phosphorescent heavy transition ...
13
Crystal structure of 6 deoxy α L psicofuranose
... the 6-deoxy-L-psicose, such an intramolecular hydrogen bond is not observed, because the hydroxy group at a C-5 position has been used for creating the ring ...
8
R Phase Structure Refinement Using Electron Diffraction Data
... in 6) was used, and some traces of the B19 martensite were indeed occasionally detected by ...a refinement based on polycrystalline X-ray ...patterns. 6) We have, however, found that even small ...
6
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 ...
9
Crystal structure of the co crystal salt 2 amino 6 bromopyridinium 2,3,5,6 tetrafluorobenzoate
... of crystal engineering and supramolecular chemistry rely on the identification and application of versatile synthons to guide the construction of molecular solids (Desiraju, 1995, ...
8
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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