Showing papers in "Acta Crystallographica in 2004"
Journal Article•
9 citations
Journal Article•
TL;DR: The Diruthenium compound [Ru_2(C_2H_3O_2)_2 (C_5H_6N_2 )_2CO)_4] as mentioned in this paper is a double-stranded doublestranded hydrogen-bonded chain formed via intra-and intermolecular hydrogen bonds involving the amine groups, one O atom of both acetate groups and two carbonyl O atoms.
Abstract: The structure of the title compound, [Ru_2(C_2H_3O_2)_2(C_5H_6N_2)_2(CO)_4], consists of a `sawhorse' diruthenium complex with two acetate bridges and two 2-aminopyridine ligands in the axial positions, coordinating via the pyridine N atoms. A double-stranded hydrogen-bonded chain is formed via intra- and intermolecular hydrogen bonds involving the amine groups, one O atom of both acetate groups and two carbonyl O atoms.
5 citations
Journal Article•
TL;DR: In this article, the authors performed an ab initio study of the surface energies, surface electronic structures and work functions for the (1 0 0) surface of the, existent and hypothetical, cubic 3d (Sc-Cu), 4d (Zr-Ag) and 5d (La-Au) transition metal carbides.
Abstract: We have performed an ab initio study of the surface energies, surface electronic structures and work functions for the (1 0 0) surface of the, existent and hypothetical, cubic 3d (Sc–Cu), 4d (Zr–Ag) and 5d (La–Au) transition metal carbides. The calculated surface energies have been compared to predictions using a so-called bond-cutting model and a model based on the so-called bonding energies. The absolute values and rough trends of the surface energies are fairly well predicted within the simple bond-cutting model, as compared to fully self-consistent calculations, while both trends and absolute values are well reproduced within the bonding energy model. The electronic structure (densities of states) of the transition metal carbides at the surface and in the bulk have been calculated. The trends are discussed in relation to the behavior of the surface energy and the work function across the series.
Journal Article•
TL;DR: A recombinant cellobiose phosphorylase from Cellvibrio gilvus has been prepared and crystallized by the sitting-drop vapour-diffusion method using 10 mg ml(-1) purified enzyme and belongs to space group P2(1), with unit-cell parameters a = 84.77, b = 98.31, c = 104.04 A, beta = 102.73 degrees.
Abstract: A recombinant cellobiose phosphorylase from Cellvibrio gilvus has been prepared and crystallized by the sitting-drop vapour-diffusion method using 10 mg ml(-1) purified enzyme, 1.5 M ammonium sulfate, 0.1 M MES buffer pH 7.0 and 5 mM glucose. A suitable crystal was obtained after 10 d incubation at 298 K. The crystal belongs to space group P2(1), with unit-cell parameters a = 84.77, b = 98.31, c = 104.04 A, beta = 102.73 degrees. X-ray diffraction data to 2.1 A resolution have been collected at KEK-PF BL-5A.
Journal Article•
TL;DR: In the crystal structure of the title compound, C34H54O4Si2, at 180k K, the molcules lie on inversion centers as mentioned in this paper, where the inversion center is the center of the lattice.
Abstract: In the crystal structure of the title compound, C34H54O4Si2, at 180 K, the molecules lie on inversion centres.