Louis J. Farrugia

Bio: Louis J. Farrugia is an academic researcher from University of Glasgow. The author has contributed to research in topics: Crystal structure & Charge density. The author has an hindex of 34, co-authored 243 publications receiving 49150 citations. Previous affiliations of Louis J. Farrugia include University of British Columbia & University of Jyväskylä.

Synthetic and structural studies on organotransition metal–bismuth nitrates

Abstract: The reaction between Bi(NO3)3·5H2O and 2 equivalents of K[Fe(CO)2(η-C5H5)] affords the iron–bismuth complex [Bi(NO3){Fe(CO)2(η-C5H5)}2]1 which was characterised by X-ray crystallography. Complex 1 comprises a bismuth atom in a trigonal-pyramidal co-ordination geometry bonded to two Fe(CO)2(η-C5H5) fragments and the oxygen atom of a monodentate nitrate group. In addition there is a longer secondary intermolecular contact between the bismuth and a nitrate oxygen of an adjacent molecule which is approximately trans to the primary Bi–O bond. The complexes [Bi(NO3)(MLn)2][MLn= Fe(CO)2(η-C5H4Me)2, Ru(CO)2(η-C5H5)3, Mo(CO)3(η-C5H5)6, Mo(CO)3(η-C5H4Me)7, W(CO)3(η-C5H5)8, W(CO)3(η-C5H4Me)9 or Cr(CO)3(η-C5H5)10] have also been prepared and characterised by spectroscopic and analytical methods. Data are also presented on the synthesis and characterisation of the ruthenium complexes [Bi{Ru(CO)2(η-C5H5)}3]4 and [BiCl{Ru(CO)2(η-C5H5)}2]5 and on the reactions between bismuth nitrate and 2 equivalents of K[Mn(CO)5] or K[Co(CO)3(PR3)](R = Ph or OPh).

Dynamic disorder in [Fe2Os(CO)12]. Structural evidence of the metal triangle rotation

Abstract: Clear-cut crystallographic evidence of dynamic disorder arising from a reorientational jumping motion of the metal triangle is provided by variable-temperature diffraction experiments on the molecular and crystal structure of [Fe2Os(CO)12].

Kinetic and structural information on metal cluster rearrangement in solution from EXAFS spectra

Abstract: Pt LIII edge EXAFS spectra for the spiked triangular cluster [Ru3Pt(µ-H)(µ4-η2-CCBut)(CO)9(dppe)][dppe = 1,2-bis(diphenylphosphino)ethane]1 measured during its rearrangement in solution into the butterfly cluster [Ru3Pt(µ4-η2-CCHBut)(CO)9(dppe)]2 show substantial changes, which provide both structural data on the complexes in solution and kinetic information on the course of the reaction.

Synthesis and X-Ray Crystal Structures of Fe2Ru(CO)12−n(CNBut)n and FeRu2(CO)12−n(CNBut)n (n=1, 2)

Abstract: The clusters Fe2Ru(CO)12−n(CNBut)n (3, n=1; 4, n=2), FeRu2(CO)12−n(CNBut)n (5, n=1, 6, n=2) and FeRu2(CO)11(CNCy) (5a) have been prepared by direct substitution from the parent carbonyl precursors Fe2Ru(CO)12 (1) and FeRu2(CO)12 (2). All compounds have been characterized spectroscopically and clusters 3, 4, 5, and 6 by single crystal X-ray determinations. In all cases, the isonitrile ligands adopt axial or pseudo-axial positions on a ruthenium atom. The structures of 3–5 are very similar to their parent clusters, but the extent of metal framework disorder is significantly less. Cluster 6 adopts the same C2v Fe3(CO)12 type structure as 4, and thus differs markedly from the parent compound 2, which has a D3 structure .

Metal complexes of chiral phosphorylalkoxides: crystal structure of dichlorobis[(1S)-2-(diphenylphosphoryl)-1-methylethanolato]titanium(IV)

Abstract: The chiral alcohols, (1S)-2-(diphenylphosphoryl)-1-methylethanol (S-Hdpomeo) and (1R)-2-(diphenylphosphoryl)-1-phenylethanol (R-Hdpopeo), have been synthesised in optically pure form by a simple two-step procedure. They can be readily deprotonated and the monoanions L so formed co-ordinate readily to TiIV or MoVI to give complexes of the type [TiCl2L2], cis-[MoO2(acac)L] or cis-[MoO2L2]. The complex [TiCl2(S-dpomeo)2] crystallised in the orthorhombic space group P212121, with a= 11.572(1), b= 13.209(1), and c= 20.452(1)A. It is octahedral, with trans chlorides, and cis phosphoryl and alkoxide donors. The six-membered chelate rings adopt asymmetric boat conformations, with equatorially projecting methyl groups. This is the first structurally characterised complex containing a phosphorylalkoxide ligand. The NMR spectroscopic evidence suggests retention of the solid-state structure upon dissolution, and considerable rigidity in the chelate rings.

WinGX suite for small-molecule single-crystal crystallography

Abstract: 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.

Phd by thesis

Abstract: 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

WinGX and ORTEP for Windows: an update

Abstract: 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.