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: Among these analogous 4b, 4d and 4p exhibit the highest repellent activity comparable to the positive control DEET, and 4a and 4k knockdown most mosquitoes on repellant assays.
60 citations
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TL;DR: In this article, the conditions to obtain in high yields three different kinds of pure neutral erbium quinolinolates by mixing an Erbium salt with 8-quinolinol (HQ) and 5,7-dihalo-8-quinolol (H5,7XQ: X=Cl and Br): i) the trinuclear complex Er 3 Q 9 (1) which is obtained with HQ deprotonated by NH 3 in water or ethanol/water mixtures; ii) the already known dimeric complexes based on the
Abstract: Erbium quinolinolates, commonly assumed to be mononuclear species with octahedral co-ordination geometry, have been proposed as promising materials for photonic devices but difficulties in obtaining well defined products have so far limited their use. We report here the conditions to obtain in high yields three different kinds of pure neutral erbium quinolinolates by mixing an erbium salt with 8-quinolinol (HQ) and 5,7-dihalo-8-quinolinol (H5,7XQ: X=Cl and Br): i) the trinuclear complex Er 3 Q 9 (1) which is obtained with HQ deprotonated by NH 3 in water or ethanol/water mixtures; ii) the already known dimeric complexes based on the unit [Er(5,7XQ) 3 (H 2 O) 2 ] [X=Cl (2) and Br (3)]; iii) the mononuclear [Er(5,7XQ)2(H5,7XQ) 2 Cl] [X= Cl (4) and Br (5)] complexes, obtained in organic solvents without base addition, where the ion results coordinated to four ligands, two deprotonated chelating, and two as zwitterionic monodentate oxygen donors. These results represent a further progress with respect to a recent reinvestigation on this reaction, which has shown that obtaining pure and anhydrous octahedral ErQ 3 , the expected reaction product, is virtually impossible, but failed in the isolation of 1 and of the neutral tetrakis species based on H5,7XQ ligands. Structural data provide a detailed description of the molecules and of their packing which involves short contacts between quinoxaline ligands, due to π-π interactions. Electronic and vibrational studies allow to select the fingerprints to distinguish the different products and to identify the presence of water. The structure/property relationship furnishes a satisfactory interpretation of the photo-physical properties. Experimental evidence confirms that the most important quenchers for the erbium emission are the coordinated water molecules and shows that the ligand emission is significantly affected by the π-π interactions.
60 citations
TL;DR: New examples of adducts between di- (and, in one instance, tetra-) functional nitrogen ligands and planar 'platform-like' dinuclear copper(II) complexes, [Cu2L2], incorporating the 1,3-aryl linked bis-beta-diketonato bridging ligand 1,1'-(1,1-phenylene)-bis(4,4-dimethylpentane-1,3
Abstract: New examples of adducts between di- (and, in one instance, tetra-) functional nitrogen ligands and planar ‘platform-like’ dinuclear copper(II) complexes, [Cu2L2], incorporating the 1,3-aryl linked bis-β-diketonato bridging ligand 1,1′-(1,3-phenylene)-bis(4,4-dimethylpentane-1,3-dione) (H2L) have been synthesised. The X-ray structures of six adduct species are reported. The interaction of [Cu2(L)2] with the ditopic ligand aminopyrazine (apyz) yielded the sandwich-like tetranuclear species [(Cu2L2(apyz))2]. A variable-temperature magnetochemical investigation of this product indicated weak antiferromagnetic coupling between the (five-coordinate) copper centres, mediated by the 2-aminopyrazine linkers. An analogous structure, [(Cu2L2(dabco))2] (dabco = 1,4-diazabicyclo[2.2.2]octane), was generated when dabco was substituted for aminopyrazine while use of 4,4′-dipyridyl sulfide (dps) and 4,4′-(1,3-xylylene)-bis(3,5-dimethylpyrazole) (xbp) as the ditopic ‘spacer’ ligands resulted in polymeric species of type [Cu2L2(dps)]n and [Cu2L2(xbp)]n, respectively. These latter species exist as one-dimensional chain structures in which copper(II) centres on different dinuclear platforms are linked in a ‘zigzag’ fashion. In contrast, with 2,2′-dipyridylamine (dpa) a discrete complex of type [Cu2L2(dpa)2] formed in which one potential pyridyl donor from each 2,2′-dipyridylamine ligand remains uncoordinated. The use of the potentially quadruply-bridging hexamethylenetetramine (hmt) ligand as the linker unit was found to give rise to an unusual two-dimensional polymeric motif of type [(Cu2(L2)2)3(hmt)2]n. The product takes the form of a (6,3) network, incorporating triply bridging hexamethylenetetramine units.
60 citations
TL;DR: Two generations of lipophilic pyrenyl functionalized poly(benzyl ether) dendrimers have been synthesized and the cytotoxicity of these water-soluble host-guest systems was evaluated on human ovarian cancer cells.
Abstract: Two generations of lipophilic pyrenyl functionalized poly(benzyl ether) dendrimers (P-1 and P-2) have been synthesized. The thermal properties of the two functionalized dendrimers have been investigated, and the pyrenyl group of the dendritic molecules encapsulated in the arene-ruthenium metalla-cage, [Ru-6(p-cymene)(6) (tpt)(2)(donq)(3)](6+) ([1](6+)) (tpt=2,4,6-tri-(pyridin-4-yl)-1,3,5-triazine; donq=5,8-dioxydo-1,4-naphthoquinonato). The host-guest properties of [P-1 subset of 1](6+) and [P-2 subset of 1](6+) were studied in solution by NMR and UV/Vis spectroscopic methods, thus allowing the determination of the affinity constants. Moreover, the cytotoxicity of these water-soluble host-guest systems was evaluated on human ovarian cancer cells.
60 citations
TL;DR: The in vitro antifungal activity of the tin(IV) complexes as well of the ligand was performed on human pathogenic fungi, Candida albicans, and the microorganism presented resistance to the dithiocarbamate ligand and all tin( IV) complexes tested were actives.
60 citations