Journal ArticleDOI
ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
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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)read more
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Tuning of emission: Synthesis, structure and photophysical properties of imidazole, oxazole and thiazole-based iridium (III) complexes
TL;DR: In this article, three new iridium (III) complexes with two cyclometalated (CN)-N-boolean AND ligands (imidazole, oxazole and thiazole-based, respectively) and one acetylacetone (acac) ancillary ligand have been synthesized and fully characterized.
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Synthesis, Crystal Structure, and Magnetic Behavior of Two Dicyanamido-Bridged Complexes of Manganese(II): Effect of Weak Interaction in Carving Regular Geometry
Debajyoti Ghoshal,Ananta Kumar Ghosh,Joan Ribas,Ennio Zangrando,Golam Mostafa,and T. K. Maji,N. Ray Chaudhuri +6 more
TL;DR: Two new dicyanamido-bridged polymeric complexes of manganese, [Mn(dca)2(pic)2]n 1 and [mn(da) 2(biim)]n 2, have been synthesized in this article.
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Assembly of Triangular Trimetallic Complexes by Triamidophosphine Ligands: Spin-Frustrated Mn2+ Plaquettes and Diamagnetic Mg2+ Analogues with a Combined Through-Space, Through-Bond Pathway for 31P-31P Spin−Spin Coupling
Jillian A. Hatnean,Ritu Raturi,Julie Lefebvre,Daniel B. Leznoff,Gavin Lawes,Samuel A. Johnson +5 more
TL;DR: An unexpected 15 Hz coupling between phosphorus nuclei in these complexes was revealed and calculations on a model complex using density functional theory demonstrates that this coupling occurs via a combined through-space, through-bond pathway.
Journal ArticleDOI
The Continuum in 5-Fluorocytosine. Toward Salt Formation
Cecília Silva,Rebeka de Oliveira,Juan C. Tenorio,Sara B. Honorato,Alejandro Ayala,Javier Ellena +5 more
TL;DR: Fluorocytosine (5-FC) was crystallized with com- plementary dicarboxylic acids, aiming to achieve a controlled synthesis of structures based on the ΔpKa rule proposed in the salt−cocrystal continuum study and to provide structural information helpful in the comprehension of its supramolecularity as discussed by the authors.
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A Series of Transition Metal Bis(dicyanobenzenedithiolate) Complexes [M(dcbdt)2] (M = Fe, Co, Ni, Pd, Pt, Cu, Au and Zn)
Helena Alves,Dulce Simão,Isabel C. Santos,Vasco Gama,Rui Henriques,Horácio M. Novais,Manuel Almeida +6 more
TL;DR: A series of new M[(dcbdt)2]−z complexes of the dicyanobenzodithiolate ligand with a range of transition metals in different oxidation states (z = 0.4, 1, 2) were prepared as their nBu4N salts and characterised by X-ray diffraction, cyclic voltammetry, EPR and static magnetic susceptibility as discussed by the authors.