Single crystals structure determination

Small-Molecule Single-Crystal Structure Determination... 

Design, synthesis and structure determination of molecules, the skeletons of which are distorted by steric congestion and/or by charge perturbation, therefore, has become an additional research project of the Frankfurt group since 1989 [2,3]. Of the altogether about 100 single crystal structures determined in the meantime, about a dozen are of silicon organic compounds [5] (cf. examples in Fig. 1). 

Open M4 units are also quite rare. In the selenobromides M4Se16Br2 (M=Nb, Ta) there are tetranuclear units M4(p-Se2)r,, which result from condensation of three M2( r-Se2)2 clusters. The M-M distances within them are about 3.1 A.52 Single crystal structure determination of V5S8 revealed the presence of rhombic vanadium clusters in the structure with hinge V-V bond of 2.88 A, peripheral bonds of 3.04 A and strong intercluster bonding (V-V 2.92 A).53... 

Macromolecule single-crystal structure determination, 26 426-427 Macromolecule structure, interactions related to, 13 742-743 Macromolecule X-ray diffraction, Laue method for, 26 442... 

Single-crystal silicon carbide, 22 525 manufacture and processing of, 22 532 Single-crystal silicon substrates, 23 39-40 Single-crystal structure determination information from, 26 426 macromolecule, 26 425-426 small-molecule, 26 423—425 Single-electron transistors (SETs), 22 169, 171-172... 

VDC polymer resistance to, 25 711 Small-molecule single-crystal structure determination, 26 423—425 Small molecules, mass spectrometry of, 15 666-667 Smallmouth bass aquaculture, 3 183 common and scientific names, 3 188t Small office home office (SOHO) markets, silica in, 22 376... 

Ketonate complexes of Ru are reported in a number of papers. The parent complex [Ru(acac)3] has been subject to a polarized neutron diffraction study at 4.18 K, to powder neutron diffraction studies and to single-crystal structure determinations at 293 K, 92 K, and 10.5 K. The structure is disordered at all temperatures. Measurements of the magnetic susceptibilities (at 2.5 K and 300 K) have been made along different crystal axis directions, and the results analyzed. An investigation of the relationships between ionization potentials and half-wave potentials of a series of tris(/3-ketonate)Ru complexes has been reported, and the electrochemical properties of [Ru(acac)3] in chloroaluminate molten salt media have been reported. The reduced species [Ru(acac)3] can react with AICI4 reduction by bulk electrolysis of a small amount of [Ru-(acac)3] in the melt yields [RuClg]. ... 

Cole JM, Raithby PR, Wulff M, Schotte F, Plech A, Teat SJ, Bushnell-Wye G (2002) Nanosecond time-resolved crystallography of photo-induced species case smdy and instrument development for high-resolution excited-state single-crystal structure determination. Faraday Discuss 122 119-129... 

Two single crystal structural determinations of tris-/5-diketonates have been reported. [Sc(acac)3] shows nearly )3 symmetry45 with monomeric six-coordination. The Sc—O interatomic distance is 2.070 A which would give an ionic radius for Sc + of 0.67 A for six-fold coordination to oxygen. The other example4 is [Sc(trop)3l which shows crystallographic Z>3 symmetry with Sc-0 = 2.102 A. 

Two independent single-crystal structure determinations of silver sulfadiazine have been reported (18,19) which mutually agree in the description of the main features of the structure. Each silver atom is coordinated by three separate sulfadiazine moieties, resulting in a distorted tetrahedral coordination by... 

Powder XRD patterns of the products were recorded using Cu Ka radiation (Rich-Seifert, 3000TT). The patterns agreed with those calculated for single-crystal structure determination. Thermogravi-metric analysis (TGA) was carried out (Metler-Toledo) in an oxygen... 

A recent X-ray single crystal structure determination for the dimer of tetrachloro-l,2,3-butatriene, perchloro[4]radialene 57>, shows it to have a highly puckered D a molecular symmetry rather than the planar DAh alternative 130>. The dihedral angle for the four-membered ring is 153.5 0.6 °. 

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