Journal ArticleDOI
ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
Reads0
Chats0
TLDR
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
Citations
More filters
Journal ArticleDOI
Experimental and ab initio computational studies on 4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline
TL;DR: In this paper, the title molecule, 4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline (C15H15N3), was prepared and characterised by 1H-NMR, 13C-NMRI, IR and single-crystal X-ray diffraction.
Journal ArticleDOI
Self-Assembled Chloro-Bridged (Arene)ruthenium Metallo-Prisms: Synthesis and Molecular Structure of Cationic Complexes of the Type [Ru6(η6-arene)6(μ3-tpt-κN)2(μ-Cl)6]6+ (tpt = 2,4,6-tris(pyridinyl)-1,3,5-triazine)
TL;DR: In this article, Cationic (arene) ruthenium-based hexanuclear complexes with trigonal-prismatic structures have been synthesized in good yield by self-assembly of only two components.
Journal ArticleDOI
Formation of a phosphorus-phosphorus bond by successive one-electron reductions of a two-phosphinines-containing macrocycle: Crystal structures, EPR and DFT investigations
Laurent Cataldo,Sylvie Choua,Théo Berclaz,Michel Geoffroy,Nicolas Mézailles,Louis Ricard,François Mathey, ,‡ and,Pascal Le Floch +7 more
TL;DR: DFT calculations indicate that, in this species, the unpaired electron is mainly localized in a bonding sigma P-P orbital, and the EPR spectrum of the ion pair [3](*)(-) Na(+); however, at high concentration, these ion pairs dimerize.
Journal ArticleDOI
Comparative study of weak interactions in molecular crystals: H-H bonds vs hydrogen bonds.
TL;DR: The crystal structures of tetraphenylphosphonium squarate, bianthrone, and bis(benzophenone)azine are shown to contain a variety of C-H(delta+)...( delta+)H-C interactions, as well as a varietyof C- h...O and C-h...C(pi) interactions.
Journal ArticleDOI
Synthesis, characterisation and optical properties of symmetrical and unsymmetrical Pt(II) and Pd(II) bis-acetylides. Crystal structure of trans-[Pt(PPh3)2(CC–C6H5)(CC–C6H4NO2)]
Rosaria D'Amato,Anita Furlani,Marcello Colapietro,Gustavo Portalone,Mauro Casalboni,Mauro Falconieri,Mv Russo +6 more
TL;DR: In this paper, the optical properties of symmetric and unsymmetric bis-acetylides were compared within a series of known Pt(II) complexes containing different phosphines and cis-trans configuration.