![[Issue Author Index]](/b/graphics/authorindexborder.gif)
![[Volume Author Index]](/b/graphics/volumeauthorindexborder.gif)
![[Cover illustration]](/b/issues/2005/03/00/graphics/coverill.gif)
|
|
|
|
Cover illustration: The arrangements of boxes shown represent the possible packing patterns of four molecules (each with dimensions L, M and S) in a unit cell, as described by the Box Model of crystal packing [Pidcock & Motherwell (2004). Cryst. Growth Des., 4, 611-620]. Application of this model to experimental P21/c structures revealed that the lower surface area packing patterns, for example 221L and 221M, are populated to a much greater extent than the higher surface area packing patterns of 114M and 114L. This finding indicates molecular shape is of primary importance in crystal packing [Pidcock & Motherwell (2004), Acta Cryst. B60, 539-546; Pidcock & Motherwell (2004), Acta Cryst. B60, 725-733]. |
Acta Cryst. (2005). B61, 239-245 [ doi:10.1107/S0108768105008530 ]
Synopsis: Cu3Bi2S3I3 is a new halogen sulfosalt with an exceptionally high I:S ratio. Cu atoms are distributed over various closely spaced and partially occupied sites which suggests their potential mobility and ionic conduction.
Online 13 May 2005
Acta Cryst. (2005). B61, 246-249 [ doi:10.1107/S0108768105005380 ]
Synopsis: The crystal structure and magnetic properties of high-pressure synthesized MnReO4 are described and discussed in the light of the oxidation states of Mn and Re.
Online 13 May 2005
Acta Cryst. (2005). B61, 250-257 [ doi:10.1107/S0108768105008116 ]
Synopsis: The short-range structure of Mn1 - xFexNb2O6 columbites has been studied by Mössbauer and X-ray absorption spectroscopies. Length scales of observed local structural heterogeneities change across the solid solution.
Online 13 May 2005
Acta Cryst. (2005). B61, 258-262 [ doi:10.1107/S0108768105012395 ]
Synopsis: The ordered double perovskites Sr2YTaO6 and Sr2YNbO6, previously reported as having unusual triclinic structures, are shown to adopt the commonly occurring monoclinic structure in the space group P21/n.
Online 13 May 2005
Acta Cryst. (2005). B61, 263-279 [ doi:10.1107/S0108768105013340 ]
Synopsis: Hypothetical zeolitic structures containing two kinds of tetrahedral site are systematically enumerated using tiling theory and evaluated as silica polymorphs by computational chemistry methods. The structures, most of them new, are divided into 15 families, based on common topological features, and the chemical feasibility of each is estimated in terms of the correlation between lattice energy and framework density.
Online 13 May 2005
Acta Cryst. (2005). B61, 280-286 [ doi:10.1107/S0108768105012632 ]
Synopsis: The crystal structure of [Cd(NH3)3Ni(CN)4] has been solved and refined as an incommensurate structure in four-dimensional superspace. The dominating feature of the modulation is the incommensurate alternation between octahedrally and tetrahedrally coordinated cadmium in the electroneutral chains [-Cd(NH3)n-NC-Ni(CN)2-CN-]![[infinity]](/logos/entities/infin_rmgif.gif)
(n alternates between 2 and 4) oriented along the a axis, in which the [Cd(NH3)n]2+ cations are linked by square-planar [Ni(CN)4]2- anions.
Online 13 May 2005
Acta Cryst. (2005). B61, 287-295 [ doi:10.1107/S0108768105006968 ]
Synopsis: The frequency distribution for hexagonal, tetragonal and orthorhombic organic, metal-organic, inorganic and bio-macromolecular crystals is analyzed as a function of the lattice-parameter ratios.
Online 13 May 2005
Acta Cryst. (2005). B61, 296-303 [ doi:10.1107/S010876810500697X ]
Synopsis: The frequency distribution for monoclinic and triclinic organic, metal-organic, inorganic and bio-macromolecular crystals is analyzed as a function of the lattice-parameter ratios.
Online 13 May 2005
Acta Cryst. (2005). B61, 304-311 [ doi:10.1107/S0108768105008797 ]
Synopsis: The crystal structures of Cr(PhCN)2, (PhCN)Cr(PhCH3) and (PhCN)Cr(PhCF3) containing a CN substituent in the aromatic rings have been determined. The effects of the substituents on the stereochemistry of the ![[pi]](/logos/entities/pi_rmgif.gif)
-complexes have been analyzed.
Online 13 May 2005
Acta Cryst. (2005). B61, 312-320 [ doi:10.1107/S0108768105005392 ]
![[gamma]](/logos/entities/gamma_rmgif.gif)
-butyrolactone at 180 K: phase-problem solution from the lattice energy minimization with two independent moleculesSynopsis: Upon cooling from 300 to 180 K, liquid -butyrolactone crystallizes into one of two polymorphs, BL1 (stable) and BL2 (metastable). This paper focuses on the solution/refinement of BL1 and preliminary results pertaining to BL2 are reported.
Online 13 May 2005
Acta Cryst. (2005). B61, 321-328 [ doi:10.1107/S0108768105007421 ]
Synopsis: Three polymorphic forms of (E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid all contain hydrogen-bonded dimers, but the interactions between these dimers are all different.
Online 13 May 2005
Acta Cryst. (2005). B61, 329-334 [ doi:10.1107/S010876810500546X ]
Synopsis: The crystal structure of the high-temperature plastic phase of anhydrous caffeine was solved ab initio from the X-ray powder diffraction pattern. Rietveld refinements were achieved with rigid-body constraints.
Online 13 May 2005
Acta Cryst. (2005). B61, 335-345 [ doi:10.1107/S0108768105006713 ]
Synopsis: The X-ray crystal structures of five polymethoxylated 1,1'-biphenyls, each with a 2,2'-bridge of the form CH2-X-CH2 (X = O, N or S), provide insight into the extent to which the design of the bridge influences the degree of helicity in such biaryls. The five compounds are analogues of the alkaloid colchicine, whose tubulin-binding properties are strongly dependent on this angle.
Online 13 May 2005
Acta Cryst. (2005). B61, 346-356 [ doi:10.1107/S0108768105011304 ]
Synopsis: The crystal structures of six oxo-cholic acids are reported. Their crystal packings display a variety of supramolecular architectures related to the presence of oxidized hydroxy groups and are dominated by O-H
O and C-HO hydrogen bonds.
Online 13 May 2005
Acta Cryst. (2005). B61, 357-358 [ doi:10.1107/S0108768105011729 ]
Synopsis: A modified choice of unit-cell vectors resolves an apparent discrepancy in the indexation of the most intense para-sexiphenyl reflections compared with those of the other known para-phenylenes.
Online 13 May 2005
Acta Cryst. (2005). B61, 359 [ doi:10.1107/S0108768105009651 ]
Synopsis: A new survey of the Cambridge Structural Database has uncovered 115 additional crystal structures that were described in the space group P1, but would be better described in groups of higher symmetries.
Online 13 May 2005
Copyright © International Union of Crystallography
IUCr Webmaster
![[HTML version]](/b/graphics/htmlborder.gif)
![[PDF version]](/b/graphics/pdfborder.gif)
![[CIF]](/b/graphics/cifborder.gif)
![[3d view]](/b/graphics/3dviewborder.gif)
![[Structure Factors]](/b/graphics/structurefactorsborder.gif)
![[Supplementary Material]](/b/graphics/supplementarymaterialsborder.gif)
![[Buy article online]](/logos/buy.gif)
![[Open access]](/b/graphics/free.gif)
![[Powder data files]](/b/graphics/powderdataborder.gif)