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: A series of metal-centered ferrocene compounds has been designed by using 5-ferrocenylpyrimidine and ferrocenypyrazine ligands to produce mixed-metal polynuclear complexes with structural diversity.
Abstract: A series of metal-centered ferrocene compounds has been designed by using 5-ferrocenylpyrimidine (L1) and ferrocenylpyrazine (L2). These ligands, when combined with transition metal salts, produce mixed-metal polynuclear complexes with structural diversity. Reaction of L1 with M(SCN)2 (M = Ni, Co) produces the pinwheel-like 4:1 complexes (L1)4·M(SCN)2, while reactions of L1 and L2 with Cu(NO3)2 give the 3:1 complex (L1)3·Cu(NO3)2 and the 2:1 complex (L2)2·Cu(NO3)2, respectively. Reactions of L1 and L2 with M(hfac)2 (hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate, M = Mn, Ni, Cu, Zn) produce 2:1 complexes (L)2·M(hfac)2 with cis and trans configurations, respectively. Crystal structures as well as solid-state electrochemical properties of these redox active complexes were investigated.
55 citations
TL;DR: Fluorescence microscopy showed that copper 6-bromo-N-cyclohexyl-2-(pyridin-2-yl)imidazo[1,2-a]pyrin-3-amine acetate 21 caused both apoptosis, necrosis and paraptosis in the MCF-7 and HL-60 cells.
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TL;DR: In this paper, four new Mn(II) coordination polymers have been synthesized by self-assembly of the primary ligands, benzoate and the o-, m-, and p-isomers of nitrobenzoates, respectively, together with 4,4′-bpy as the secondary spacer.
Abstract: Four new Mn(II) coordination polymers [Mn(4,4′-bpy)(C6H5COO)2]n (1), [Mn(4,4′-bpy)(o-(NO2)C6H4COO)2]n (2), [Mn(4,4′-bpy)(m-(NO2)C6H4COO)2]n (3), and [Mn(4,4′-bpy)(p-(NO2)C6H4COO)2]n (4) (where 4,4′-bpy = 4,4′-bipyridine) have been synthesized by self-assembly of the primary ligands, benzoate and the o-, m-, and p-isomers of nitrobenzoates, respectively, together with 4,4′-bpy as the secondary spacer. All four complexes were characterized by elemental analyses, IR spectroscopy, single-crystal X-ray diffraction analyses, and variable-temperature magnetic measurements. The structural analyses reveal that complexes 1 and 3 are constructed by linear fused chains through double syn-syn (for 1) or syn-anti (for 3) carboxylate-bridged Mn(II), which are further linked to one another by trans coordinated 4,4′-bpy bridges, giving rise to a rectangular grid-like two-dimensional (2D) net. Complex 2 features one-dimensional (1D) molecular ladder formed by both syn-syn and syn-anti carboxylate-bridged dimeric Mn(II) uni...
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TL;DR: The rate constants indicate for all reactions a direct substitution of the X–Y chelate by the selected nucleophiles, thereby showing that the nature of the chelate plays an important role in the kinetic and mechanistic behavior of the Pt(II) complex.
Abstract: A set of three oxaliplatin derivatives containing 1,2-trans-R,R-diaminocyclohexane (dach) as a spectator ligand and different chelating leaving groups X–Y, viz., [Pt(dach)(O,O-cyclobutane-1,1-dicarboxylate)], or Pt(dach)(CBDCA), [Pt(dach)(N,O-glycine)]+, or Pt(dach)(gly), and [Pt(dach)(N,S-methionine)]+, or Pt(dach)(l-Met), where l-Met is l-methionine, were synthesized and the crystal structure of Pt(dach)(gly) was determined by X-ray diffraction. The effect of the leaving group on the reactivity of the resulting Pt(II) complexes was studied for the nucleophiles thiourea, glutathione (GSH) and l-Met under pseudo-first-order conditions as a function of nucleophile concentration and temperature, using UV–vis spectrophotometric techniques. 1H NMR spectroscopy was used to follow the substitution of the leaving group by guanosine 5′-monophosphate (5′-GMP2−) under second-order conditions. The rate constants indicate for all reactions a direct substitution of the X–Y chelate by the selected nucleophiles, thereby showing that the nature of the chelate, viz., O–O (CBDCA2−), N–O (glycine) or S–N (l-Met), respectively, plays an important role in the kinetic and mechanistic behavior of the Pt(II) complex. The k1 values for the reaction with thiourea, l-Met, GSH and 5′-GMP2− were found to be as follows (103k1, 37.5 °C, M−1 s−1): Pt(dach)(CBDCA) 61 ± 2, 21.6 ± 0.1, 23 ± 1, 0.352 ± 0.002; Pt(dach)(gly) 82 ± 3, 6.2 ± 0.2, 37 ± 1, 1.77 ± 0.01; Pt(dach)(l-Met) (thiourea, GSH) 62 ± 2, 24 ± 1. The activation parameters for all reactions studied suggest an associative substitution mechanism.
55 citations
TL;DR: In this article, two pyridine derivatives were synthesized via carbon-carbon coupling, characterized by XRD, spectroscopic techniques and also investigated by using density functional theory (DFT).
55 citations