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 new binary complex [Cu(HCip) 2 ](NO 3 ) 2 ǫ 6H 2 O (1 ) has been synthesized and then characterized by X-ray structure analyses.
59 citations
TL;DR: Variable-temperature zero-field and magnetically perturbed Mössbauer spectra at liquid-helium temperatures are consistent with three antiferromagnetically coupled high-spin ferric ions in agreement with the magnetic susceptibility and EPR results.
Abstract: A new asymmetrically coordinated bis-trinuclear iron(III) cluster containing a {Fe3O}7+ core has been synthesized and structurally, magnetically, and spectroscopically characterized. [Fe6Na2O2(O2CPh)10(pic)4(EtOH)4(H2O)2](ClO4)2·2EtOH (1·2EtOH) crystallizes in the P1 space group and consists of two symmetry-related {Fe3O}7+ subunits linked by two Na+ cations. Inside each {Fe3O}7+ subunit, the iron(III) ions are antiferromagnetically coupled, and their magnetic exchange is best described by an isosceles triangle model with two equal (J) and one different (J ‘) coupling constants. On the basis of the H = −2ΣJijSiSj spin Hamiltonian formalism, the two best fits to the data yield solutions J = −27.4 cm-1, J ‘ = −20.9 cm-1 and J = −22.7 cm-1, J ‘ = −31.6 cm-1. The ground state of the cluster is S = 1/2. X-band electron paramagnetic resonance (EPR) spectroscopy at liquid-helium temperature reveals a signal comprising a sharp peak at g ∼ 2 and a broad tail at higher magnetic fields consistent with the S = 1/2 c...
59 citations
TL;DR: In this paper, the synthesis of the new cyclometalated Pt(II) N-heterocyclic carbene complex (NHC)PtII(acac) with β-diketone ligands was presented.
59 citations
TL;DR: In this article, the crystal structures of the nalidixic acid and its organoruthenium complex were determined, and the aqueous stability of the complex was studied.
59 citations
TL;DR: In this paper, the ferrocenylphosphine-borane adducts were used for selective dehydrocoupling to yield an ionic polymer, which was characterized by multinuclear NMR and IR spectroscopy, gel permeation chromatography (GPC), and thermal analysis.
Abstract: Dehydrocoupling of the ferrocenylphosphine–borane adducts [FcPH2(BH3)] (1) [Fc = Fe(C5H5)(C5H4)] and [FcCH2PH2(BH3)] (2) with [{Rh(μ-Cl)(cod)}2] (cod = 1,5-cyclooctadiene) as catalyst gave the corresponding phosphorus–boron-based polymers [FcPH(BH2)]n (3) and [FcCH2PH(BH2)]n (4) as low- (heating in toluene, 3low and 4low) or high-molecular-weight (heating without solvent, 3high or 4high) poly(ferrocenylphosphinoborane)s depending on the reaction conditions. Dehydrocoupling of a racemic mixture of [2-N,N-dimethyl(N-borane)aminomethyl-1-ferrocenyl]phosphine–borane (6) resulted in several products, as both BH3 moieties are apparently involved in polymer formation. Quaternization of the amino group in planar-chiral [Fe(C5H5){C5H3(CH2NMe2)PH2}] (5) with MeI and treatment of the corresponding ammonium salt [Fe(C5H5){C5H3(CH2NMe3)PH2}]I (8) with BH3(THF) gave [Fe(C5H5){C5H3(CH2NMe3)PH2(BH3)}]I (9), which proved to be a suitable precursor for selective dehydrocoupling to yield an ionic polymer, namely, {[Fe(C5H5){C5H3(CH2NMe3)PH(BH2)}]I}n. The ferrocenylphosphine–borane adducts 1, 2, and 6 were characterized by 31P, 11B, 1H, and 13C NMR spectroscopy, and the polymers were characterized by multinuclear NMR and IR spectroscopy, gel permeation chromatography (GPC), and thermal analysis [differential thermal analysis (DTA)/thermogravimetry (TG)]. The ionic precursor 9 and the resulting polymer are highly insoluble and were characterized by solid-state 31P NMR spectroscopy, IR spectroscopy, and thermal analysis. Molecular structures of 1, 6, 8, and 9 were determined by X-ray crystallography.
59 citations