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: Cobalt(II) (1) and cobalt(III) (2) complexes of tridentate ligand, imidazole terpyridine (Itpy), have been synthesized and characterized by both spectroscopic and electrochemical techniques as discussed by the authors.
61 citations
TL;DR: Theoretical calculations on the energetic difference between the two possible coordination modes of the thiocyanate anion to the Cd atom reveal that N-coordinations is preferred over S-coordination in agreement with the much greater abundance of the reported N-bonded structures.
Abstract: Two new trinuclear hetero-metallic copper(II)–cadmium(II) complexes [(CuL)2Cd(NCS)2] (1) and [(CuLR)2Cd(SCN)2] (2) have been synthesized using [CuL] and [CuLR] as “metalloligands” (where H2L = N,N′-bis(salicylidene)-1,4-butanediamine and H2LR = N,N′-bis(2-hydroxybenzyl)-1,4-butanediamine) respectively. Both the complexes were characterized by elemental analysis, various spectroscopic methods and single crystal XRD. Complex 1 is an angular trinuclear species, in which two terminal four-coordinate square planar “metalloligands” [CuL] are coordinated to a central Cd(II) through double phenoxido bridges along with two mutually cis nitrogen atoms of terminal thiocyanate ions. In complex 2, which is linear, in addition to the double phenoxido bridge, two SCN− coordinate to the trans positions of the central octahedral Cd(II) via S atoms. Theoretical calculations on the energetic difference between the two possible coordination modes of the thiocyanate anion to the Cd atom reveal that N-coordination is preferred over S-coordination in agreement with the much greater abundance of the reported N-bonded structures. In 2, there is a strong N–H⋯NCS–Cd H-bonding interaction, the binding energy of which is computed to be approximately −9.3 kcal mol−1, which is sufficient to compensate the 9.0 kcal mol−1 of energetic cost due to the unusual Cd–SCN coordination mode.
61 citations
TL;DR: The catalytic activity of the novel binuclear Fe(III) complex suggests that it can be considered as a functional biomimetic analog to methane monooxygenase.
61 citations
TL;DR: A trinuclear complex was synthesized by using a metalloligand [CuL] (H2L = N,N′-bis(salicylidene)-1,3-propanediamine or salpn) as mentioned in this paper, which is used as a new 3d-4f metallatecton for stepwise supramolecular oligomerization along with a simple diimine linker, 4,4′-bipyridine (bpy).
Abstract: A trinuclear complex [(CuL)2Tb(H2O)(NO3)3]·MeOH·H2O (1) is synthesized by using a metalloligand [CuL] (H2L = N,N′-bis(salicylidene)-1,3-propanediamine or salpn). This complex is used as a new 3d-4f metallatecton for stepwise supramolecular oligomerization along with a simple diimine linker, 4,4′-bipyridine (bpy). A ratio of metallatecton/linker = 2:1 is conducive for the formation of a dimer [{(CuL)2Tb(H2O)(NO3)3}2bpy]·2MeOH·4H2O (2), whereas a higher proportion of linker at a ratio of 1:1 gives rise to a zigzag one-dimensional coordination polymer {[(CuL)2Tb(NO3)3bpy]·MeOH·2H2O}∞ (3). The inherent conformational flexibility of the trinuclear (CuL)2Tb node which is folded (cisoid) for 1 and 2 (asymmetric TbO9 tricapped trigonal prism) and unfolded (transoid) for 3 (a C2-symmetric TbO10 tetradecahedron) seems to stabilize the crystal packing of these coordination-driven self-assemblies. The rapidly saturated magnetization at 1.8 K for 1 (11 μB) and 2 (22 μB) clearly indicates the presence of Tb–Cu ferromag...
61 citations
TL;DR: In this paper, the spacer ligand 2,2′-bi-1,6-naphthyridine 1 was used to give 2D-planar (4,4) frameworks which interpenetrate such that each grid window of each sheet has two other sheets passing through it.
61 citations