J. Appl. Cryst.の発刊に際して

This critical review presents a comprehensive study of transition-metal carboxylate clusters which may serve as secondary building units (SBUs) towards construction and synthesis of metal–organic frameworks (MOFs). We describe the geometries of 131 SBUs, their connectivity and composition. This contribution presents a comprehensive list of the wide variety of transition-metal carboxylate clusters which may serve as secondary building units (SBUs) in the construction and synthesis of metal–organic frameworks. The SBUs discussed here were obtained from a search of molecules and extended structures archived in the Cambridge Structure Database (CSD, version 5.28, January 2007) which included only crystals containing metal carboxylate linkages (241 references).

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Secondary building units, nets and bonding in the chemistry of metal–organic frameworks

The aim of this critical review is to provide a broad but digestible overview of mechanochemical synthesis, i.e. reactions conducted by grinding solid reactants together with no or minimal solvent. Although mechanochemistry has historically been a sideline approach to synthesis it may soon move into the mainstream because it is increasingly apparent that it can be practical, and even advantageous, and because of the opportunities it provides for developing more sustainable methods. Concentrating on recent advances, this article covers industrial aspects, inorganic materials, organic synthesis, cocrystallisation, pharmaceutical aspects, metal complexes (including metal–organic frameworks), supramolecular aspects and characterization methods. The historical development, mechanistic aspects, limitations and opportunities are also discussed (314 references).

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Mechanochemistry: opportunities for new and cleaner synthesis

/pdf/studies-in-surface-science-and-catalysis-2ogdlcr44y.pdf

Studies in Surface Science and Catalysis

2.4.2. Interpenetrated Ladders 711 2.4.3. Unusual Motifs of Ladders 713 2.4.4. Properties of Ladderlike Chains 713 2.5. Rotaxane Polymers 714 2.5.1. 1D Polyrotaxanes 714 2.5.2. 2D Polyrotaxanes 715 2.5.3. 3D Polyrotaxanes 716 2.5.4. Hydrogen-Bonded Polyrotaxanes 716 2.6. Ribbon/Tape Polymers 717 2.7. Metal Cluster As Building Blocks for 1D CP 718 2.7.1. Metal Carboxylate Clusters 718 2.7.2. Metal Halide Clusters 719 2.7.3. Metal Chalcogenide Clusters 720 2.7.4. Polyoxometalate Clusters 721 2.7.5. Single Molecular Magnets as Building Blocks 722

One-Dimensional Coordination Polymers: Complexity and Diversity in Structures, Properties, and Applications

The paper describes a universal program MRIA for the full profile analysis of powder neutron-diffraction time-of-flight direct and Fourier spectra. The minimum configuration of MRIA, analysing up to four spectra, four phases, 500 Miller indices for every phase and 100 independent atoms, can run on an IBM PC-AT or any compatible. The extended variant of the program, analysing data of larger size, runs on a MicroVAX computer. Part of MRIA, providing necessary service functions for a PC user, is written in TurboPascal 6.0. The basic programs of MRIA are written in standard Fortran77 and can be compiled by RMFORT or MSFORT77 and by an NDP compiler on a 32 bit PC.

MRIA - a program for a full profile analysis of powder multiphase neutron-diffraction time-of-flight (direct and Fourier) spectra

The review surveys modern methods for the determination of unknown crystal structures of organic and inorganic compounds from powder diffraction data. The main stages of this process, from the preparation of the specimen to a search for the structural motif followed by the Rietveld refinement, are considered. The results obtained on different diffractometers using X-ray, synchrotron, and neutron radiations are demonstrated to be well reproducible. Examples of successful structure solution are cited, which provide evidence that powder diffraction is a reliable tool in establishing structures of a wide range of compounds for which single crystals are unavailable.

Structure determination from powder diffraction

Pressure-induced phase transitions in crystalline l-serine studied by single-crystal and high-resolution powder X-ray diffraction

An efficient grid search procedure successfully applied to the solution of three unknown molecular structures from X-ray and neutron powder diffraction data is presented.

A grid search procedure of positioning a known molecule in an unknown crystal structure with the use of powder diffraction data

Simulated annealing approach was success- fully applied to solve three unknown molecular structures from X-ray laboratory powder data using a priory known structural fragments. Some possible developments of the method are discussed.

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Vladimir V. Chernyshev

Papers

MRIA - a program for a full profile analysis of powder multiphase neutron-diffraction time-of-flight (direct and Fourier) spectra

Structure determination from powder diffraction

Pressure-induced phase transitions in crystalline l-serine studied by single-crystal and high-resolution powder X-ray diffraction

A grid search procedure of positioning a known molecule in an unknown crystal structure with the use of powder diffraction data

Application of simulated annealing approach for structure solution of molecular crystals from X-ray laboratory powder data