ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
01 Oct 1997-Journal of Applied Crystallography (International Union of Crystallography)-Vol. 30, Iss: 5, pp 565-565
TL;DR: L 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.
Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant 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. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/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. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)
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TL;DR: In this paper, a review of coordinatively unsaturated half-sandwich iron, ruthenium and osmium complexes, in particular those bearing bulky phosphane ligands, is presented, where the synthesis, properties and structure of neutral complexes of the type [(C5R5)MX(L)] and their cationic derivatives are described.
Abstract: This review deals with the study of coordinatively unsaturated half-sandwich iron, ruthenium and osmium complexes, in particular those bearing bulky phosphane ligands. The synthesis, properties and structure of neutral complexes of the type [(C5R5)MX(L)] and their cationic derivatives [(C5R5)M(L)2] + , are described here. We will also refer to related compounds containing hydrotris(pyrazolyl)borate (Tp)
55 citations
TL;DR: In this paper, the X-ray structure and magnetic properties of iron(II) acetate are presented. Butler et al. showed that the compound crystallises in the space group Pbcn and was identified as 2D coordination polymer consisting of iron atoms and acetate moieties.
Abstract: In this paper the X-ray structure and magnetic properties of iron(II) acetate – starting material for the synthesis of a wide range of iron complexes – are presented. The compound crystallises in the space group Pbcn and was identified as 2D coordination polymer consisting of iron atoms and acetate moieties with all the iron atoms hexacoordinate and different coordination modes for the acetate moieties. Additional hydrogen bond contacts lead to a porous coordination polymer with 1D channels in the size of mesopores. Temperature dependent magnetic measurements confirm that the complex is a high-spin compound in the entire temperature range investigated with a room temperature magnetic moment of 5.4 μB. Field-dependent magnetisation measurements reveal a slightly sigmoidal curve progression typical for metamagnetism.
55 citations
TL;DR: In this article, four metal organic frameworks with bivalent cadmium, disodium succinate (Na2suc), and four different N,N′-donor ligands were synthesized at room temperature and characterized by singlecrystal X-ray diffraction and other physicochemical methods.
Abstract: Four new metal organic frameworks with bivalent cadmium, disodium succinate (Na2suc), and four different N,N′-donor ligands, i.e., {[Cd(L1)(suc)]·(H2O)3}n (1), {[Cd(L2)(suc)]·(H2O)2}n (2), {[Cd(L3)(suc)]·(H2O)4}n (3), {[Cd3(L4)3(suc)2(H2O)2]·(NO3)2 (H2O)4}n (4) [L1 = 2,5-bis-(4-pyridyl)-3,4-diaza-2,4-hexadiene, L2 = trans 4,4′-azobispyridine, L3 = 2,5-bis-(3-pyridyl)-3,4-diaza-2,4-hexadiene, L4 = 1, 2-bis(4-pyridyl) ethane and suc = succinate dianion] have been synthesized at room temperature and characterized by single-crystal X-ray diffraction and other physicochemical methods. Structure determination reveals that compounds 1 and 2 show honeycomb-like three-dimensional (3D) architecture with water-filled channels. The dehydrated frameworks of 1 and 2 exhibit hydrogen and carbon dioxide adsorption properties. In compound 3, change of linker (linear to bent) led to the blockage of such regular channels which also affected the porosity and adsorption properties of its dehydrated framework. In 4, the used s...
55 citations
TL;DR: The gold and nickel bisdithiolene complexes based on new highly extended ligands incorporating fused tetrathiafulvalene and thiophene moieties are new examples of the still rare single-component molecular metals.
Abstract: The gold and nickel bisdi- thiolene complexes based on new highly extended ligands incorporating fused tetrathiafulvalene and thiophene moieties (a-tdt = thiophenetetrathiaful- valenedithiolate and dtdt = dihydro- thiophenetetrathiafulvalenedithiolate), were prepared and characterised by using cyclic voltammetry, single crystal X-ray diffraction, EPR, magnetic sus- ceptibility and electrical transport measurements. These complexes, ini- tially obtained under anaerobic condi- tions as diamagnetic gold monoanic (nBu4N)(AuAa-tdt)2 )( 4), (nBu4N)(Au- A2 )( 3) and nickel dianionic species ((nBu4N)2)(NiAa-tdt)2 )( 8), ((nBu4N)2) (NiA2 )( 7), can be easily oxidised to the stable neutral state just by air or iodine exposure. The monoanionic complexes crystallise in at least two polymorphs, all of which have good cation and anion segregation in alter- nated layers, the anion layers making a dense 2D network of short S···S con- tacts. All of the neutral complexes, ob- tained as microcrystalline or quasi amorphous fine powder, present rela- tively large magnetic susceptibilities that correspond to effective magnetic moments in the range 1-3 mB indicative of high spin states and very high elec- trical conductivity that in case of the Ni compound can reach sRT 250 S cm 1 with a clear metallic behav- iour. These compounds are new exam- ples of the still rare single-component molecular metals.
55 citations
TL;DR: The structural analyses reveal that both complexes are dinuclear in which the distorted octahedral Ni(2+) ions share a face, bridged by one water molecule and two μ(2)-phenoxo oxygen atoms.
Abstract: Two new nickel(II) complexes [Ni2L2(PhCOO)2(H2O)] (1), [Ni2L2(PhCH2COO)2(H2O)] (2) have been synthesized using a tridentate Schiff base ligand, HL (2-[(3-dimethylamino-propylimino)-methyl]-phenol) and the carboxylate monoanions, benzoate and phenylacetate, respectively. The complexes have been characterized by spectral analysis, variable temperature magnetic susceptibility measurement and crystal structure analysis. The structural analyses reveal that both complexes are dinuclear in which the distorted octahedral Ni2+ ions share a face, bridged by one water molecule and two μ2-phenoxo oxygen atoms. A monodentate benzoate or phenylacetate anion and two nitrogen atoms of the chelating deprotonated Schiff base (L) complete the hexa-coordination around the metal ion. Variable-temperature magnetic susceptibility studies indicate the presence of dominant ferromagnetic exchange coupling in complexes 1 and 2 with J values of 11.1(2) and 10.9(2) cm−1 respectively. An attempt has been made to rationalize the observed magneto-structural behavior considering the importance of the additional water bridge in the present two complexes and also in other similar species.
55 citations