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.

Chemistry of the metal carbonyls. Part 78. Synthesis and X-ray crystal structures of [NiOs3(µ-H)2(µ-CO)2(CO)8(PPh3)2] and [Os3Rh(µ-H)2(acac)(CO)10](acac = acetylacetonate)

Abstract: The zerovalent nickel compound [Ni(C2H4)(PPh3)2] reacts with [Os3(µ-H)2(CO)10] to give the 60 valence electron cluster complex [NiOs3(µ-H2)(CO)10(PPh3)2], the structure of which has been established by a single-crystal X-ray diffraction study. It crystallises in the monoclinic space group P21/n with four molecules in a cell of dimensions a= 15.579(6), b= 17.205(4), c= 18.976(5)A, and β= 99.97(3)°. The structure has been determined from 8 595 unique reflections (2.9 ⩽ 2θ⩽ 55°, Mo-KαX-radiation) collected at 190 K, and refined to R 0.038 (R′ 0.042). The metal atoms form a slightly distorted tetrahedron with two Ni–Os edges each bridged by a carbonyl group, and with the third Ni-Os edge and an Os–Os bond bridged by hydrido-ligands. Although the latter were not located by the diffraction study their assigned positions are argued on a variety of other evidence. The nickel atom carries one PPh3 ligand, while the second PPh3 group is bound to an osmium atom. The unsaturated triosmium compound [Os3(µ-H)2(CO)10] also reacts with [Rh(acac)(C2H4)2](acac = acetylacetonate) affording in high yield the cluster complex [Os3Rh(µ-H)2(acac)(CO)10]. An X-ray diffraction study on a single crystal revealed that it was triclinic, space group P(no. 2), Z= 2, in a unit cell of dimensions a= 8.759(3), b= 9.463(2), c= 13.680(4)A, α= 100.59(2), β= 93.86(2), and γ= 107.84(2)°. The structure has been refined to R 0.052 (R′ 0.059) for 4 240 independent reflections (2.9 ⩽ 2θ⩽ 60°, Mo-KαX-radiation) collected at 200 K. The four metal atoms adopt a ‘butterfly’ configuration. The pentane-2,4-dionato-ligand is chelated to the rhodium atom at one extremity but one of its oxygen atoms also bridges to an Os atom forming the other wing-tip of the ‘butterfly’, so that this Os–Rh separation is 3.292(2)A. The pentane-2,4-dionato-group thus functions as a five-electron donor, hence the cluster has 60 valence electrons. The rhodium atom also carries a carbonyl ligand, and this, and the remaining nine carbonyls on the osmium atoms, are all terminally bound. On the basis of 1H n.m.r. studies, osmium–osmium distances, and other evidence the two hydrido-ligands bridge two of the Os–Os bonds. The compound is chemically unsaturated forming an adduct with triphenylphosphine; n.m.r. studies (1H and 31P) show that the PPh3 group becomes attached to the rhodium atom of the cluster.

Synthetic and structural studies on Group 13 complexes containing the M(CO)3(η-C5H5) fragment (M = Cr or Mo). Part 2. Complexes [InClx{M(CO)3(η-C5H5)}2]n–(x= 1, n= o; x= 2, n= 1)

Abstract: The synthesis and solution infrared studies of a range of compounds of general formula [InX(L){M(CO)3(η-C5H5)}2] have been performed where X = Cl or I, L = X, tetrahydrofuran (thf), pyridine (py) and M = Cr, Mo or W. In addition, structures have been determined by X-ray analysis for [InCl(thf){Mo(CO)3(η-C5H5)}2], [InCl(py){Cr(CO)3(η-C5H5)}2] and [NMe4][InCl2{Mo(CO)3(η-C5H5)}2] and these are discussed and compared with the structures of related complexes.

Chemistry of the metal carbonyls. Part 80. Diosmiumdiplatinum carbonyl complexes derived from tetracarbonyldihydrido-osmium. X-Ray crystal structure of [Os2Pt2(µ-H)2(CO)8(PPh3)2]

Abstract: The complexes [Pt(C2H4)2(PR3)] react at room temperature with [OsH2(CO)4] in light petroleum to give diosmiumdiplatinum compounds [Os2Pt2(µ-H)2(CO)8(PR3)2](R = Ph, cyclo-C6H11, or Me), the spectroscopic properties of which are reported. The molecular structure of the triphenylphosphine derivative was established by an X-ray diffraction study. The four metal atoms form a ‘butterfly’ cluster with the two osmium atoms at the ‘hinge’(Os–Os = 2.7814A) and the two platinum atoms at the ‘wingtips’(Pt ⋯ Pt = 3.2060A). The molecule has two-fold rotational symmetry crystallographically imposed, the two Os–Pt distances being 2.8629 and 2.7089A; the longer bonds are hydrido-bridged. The platinum atoms each carry one carbonyl group and a triphenylphosphine ligand. Crystals of [Os2Pt2(µ-H)2(CO)8(PPh3)2] are monoclinic, a= 15.488(4), b= 12.949(3), c= 21.364(5)A, β= 93.71 (2)°, space group C2/c. The structure was solved by heavy-atom methods and has been refined to R 0.031 (R′ 0.028) for 4 192 reflections.

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.