The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and signi®cant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. Cryst. (1985). 18, 189± 190] and on the World Wide Web at http://www.iucr. org/journals/jac/software/. Lists of software presented and/or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.

WinGX suite for small-molecule single-crystal crystallography

Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

The WinGX suite provides a complete set of programs for the treatment of small-molecule single-crystal diffraction data, from data reduction and processing, structure solution, model refinement and visualization, and metric analysis of molecular geometry and crystal packing, to final report preparation in the form of a CIF. It includes several well known pieces of software and provides a repository for programs when the original authors no longer wish to, or are unable to, maintain them. It also provides menu items to execute external software, such as the SIR and SHELX suites of programs. The program ORTEP for Windows provides a graphical user interface (GUI) for the classic ORTEP program, which is the original software for the illustration of anisotropic displacement ellipsoids. The GUI code provides input capabilities for a wide variety of file formats, and extra functionality such as geometry calculations and ray-traced outputs. The programs WinGX and ORTEP for Windows have been distributed over the internet for about 15 years, and this article describes some of the more modern features of the programs.

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WinGX and ORTEP for Windows: an update

J. Appl. Cryst.の発刊に際して

https://pubs.rsc.org/en/content/articlepdf/2019/NP/C8NP00092A

Marine natural products.

A one-pot tandem process involving an Overman rearrangement, ring closing enyne metathesis and a hydrogen bonding directed Diels–Alder reaction has been developed for the efficient diastereoselective synthesis of functionalised amino substituted tetralin and indene ring systems.

Discovery of a Multi-Bond Forming, Four-Step Tandem Process: Construction of Drug-Like Polycyclic Scaffolds.

Synthesis and X‐Ray Crystal Structure of a Polymeric Iodobismuthate Anion.

The reaction between InCl3 and one equivalent of K[Co(CO)3(PPh3)] affords the complex [InCl2(PPh3){Co(CO)4}] (8), which

Synthetic and Structural Studies on Cobalt Carbonyl Complexes Containing Indium.

Publisher Summary This chapter reviews compounds containing polyhedral, linked polyhedral or planar arrangements of three or more directly bonded metal atoms, which are considered as clusters and compounds containing more open structures and chain structures. One underlying reason for the interest in heteronuclear clusters lies in their potential for site-specific reactivity at chemically differing metal atoms. The stoichiometry of the products is not rational, and the mechanisms clearly are very complicated, though once again these reactions, under experimental optimization, can provide very useful synthetic routes. An important consequence of the nonutilization of tangential orbitals is that platinum clusters often do not obey the normal electron counting rules and appear to be electron deficient. Clusters with chemically inequivalent hydrides often show hydride exchange. Several fluxional processes have been reported that imply some metal framework rearrangement. Isomerizations involving metal core rearrangements that are not fast on the nuclear magnetic resonance (NMR) time scale have also been observed. A few examples of tetranuclear species and several clusters containing platinum and two or more different metal atoms are reported. The metal–metal separations show considerable variation, and this has been attributed to the asymmetrical ligand distribution. Despite the general interest in bimetallic catalysts, there have been relatively few reports on catalysis by hetero-Pt clusters, either in the homogeneous phase or as supported catalysts.

Louis J. Farrugia

Papers

Discovery of a Multi-Bond Forming, Four-Step Tandem Process: Construction of Drug-Like Polycyclic Scaffolds.

Synthesis and X‐Ray Crystal Structure of a Polymeric Iodobismuthate Anion.

Synthetic and Structural Studies on Cobalt Carbonyl Complexes Containing Indium.

Heteronuclear Clusters Containing Platinum and the Metals of the Iron, Cobalt, and Nickel Triads

Some historical chemistry: The structures of dieucarvelones A, B and C and the structure of α-amyrilene