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: The high-yield synthesis, spectroscopic and structural determination of three new uranium( IV) and thorium(IV)ate complexes supported by three different diamido ether ligands are reported, illustrating the viability of ate complexes as useful synthetic precursors.
Abstract: The high-yield synthesis, spectroscopic and structural determination of three new uranium(IV) and thorium(IV)
“ate” complexes supported by three different diamido ether ligands are reported. The reaction of Li2[2,6-iPr2PhN(CH2CH2)]2O (Li2[DIPPNCOCN]) with 1 equiv. of UCl4 in THF generates [DIPPNCOCN]UCl3Li(THF)2
(1), while reaction in toluene/ether gives salt-free [DIPPNCOCN]UCl2·½C7H8
(2), which was identified by paramagnetically shifted 1H NMR. Reaction of 0.5 equiv. of {[tBuNON]UCl2}2
([tBuNON]
=
[(CH3)3CN(Si(CH3)2)]2O2−) with 3.5 equiv. LiI in toluene and a minimal amount of THF results in [tBuNON]UI3Li(THF)2
(3) and is very similar in structure to 1. {[MesNON]ThCl3Li(THF)}2
(4), a dimeric complex with a Th2Li2Cl6 core, is prepared by reaction of Li2[2,4,6-Me3PhN(Si(CH3)2)]2O (Li2[MesNON]) with ThCl4 in THF. The analogous reaction in toluene did not yield the salt-free complex but rather a sterically crowded diligated compound, [MesNON]2Th (5), which was also structurally characterized. Complex 5 was prepared rationally by reacting 2 equiv. Li2[MesNON] with ThCl4 in toluene. The reaction of 1 and 3 with 2 equiv. of LiCH2Si(CH3)3 generates the stable, salt-free organoactinides [DIPPNCOCN]U(CH2Si(CH3)3)2
(6) and [tBuNON]U(CH2Si(CH3)3)2
(7). Complex 6 was structurally characterized. These reactions illustrate the viability of “ate” complexes as useful synthetic precursors.
47 citations
TL;DR: In this article, Fischer-type carbene complexes containing an azolyl as the organic substituent were synthesized by reaction of 1-phenylpyrazol-3-yllithium.
47 citations
TL;DR: In this article, an oxamidato-bridged Re(I)-based supramolecular rectangles with an ester functionality have been synthesized via an orthogonal bonding approach under solvothermal conditions.
47 citations
TL;DR: Photophysical measurements in amorphous PMMA films and pure emitter films at room temperature reveal the impact of the mesityl groups in the auxiliary ligand, which led to a significant increase of the quantum yield, while the decay lifetimes decreased.
Abstract: Since C^C* cyclometalated Pt(II) complexes with N-heterocyclic carbene (NHC) ligands have been identified as potential emitter materials in organic light-emitting devices (OLEDs), very promising results regarding quantum yields, colour and stability have been presented. Herein, we report on four nitrile substituted complexes with a chelating NHC ligand (1-(4-cyanophenyl)-3-isopropyl-1H-benzo[d]imidazole or 4-(tert-butyl)-1-(4-cyanophenyl)-3-methyl-1H-imidazole) and a bidentate monoanionic auxiliary ligand (acetylacetone or dimesitoylmethane). The complexes have been fully characterized including extensive 2D NMR studies (COSY, HSQC, HMBC, NOESY, 195Pt NMR), three of them also by solid-state structures. Photophysical measurements in amorphous PMMA films and pure emitter films at room temperature reveal the impact of the mesityl groups in the auxiliary ligand, which led to a significant increase of the quantum yield, while the decay lifetimes decreased. The electron withdrawing nitrile groups shift the emission towards blue colour coordinates.
47 citations
TL;DR: In this article, the physico-chemical properties of the levo-and dextrorotatory menthol isomers as well as the corresponding racemic compound were studied using X-ray single-crystal or powder diffraction and differential scanning calorimetry experiments.
Abstract: The physico-chemical properties of the levo- and dextrorotatory menthol isomers as well as the corresponding racemic compound were studied using X-ray single-crystal or powder diffraction and differential scanning calorimetry experiments. As a result, the not yet determined crystal structure of DL-menthol was solved. Moreover, the stable and metastable experimental temperature-composition phase diagrams of the L-menthol/D-menthol binary system were determined. The thermodynamic relative stability of the different menthol polymorphs was also established. The present paper provides new physical, chemical and thermodynamic data of L-, D- and DL-menthol and offers new insight into their polymorphism as well as into the levorotatory-dextrorotatory menthol interactions. Both the thermodynamic and crystallographic approaches demonstrate unambiguously that racemic menthol is a racemate.
47 citations