The title dinuclear copper complex, [Cu(2)Cl(4)(C(28)H(32)N(6))]·3H(2)O, is located on a crystallographic inversion center. The unique Cu(II) ion is coordinated in a slightly distorted square-pyramidal environment in which the N atoms of the dipicolyl-amine group and a chloride ligand form the basal plane. The apical position is occupied by a second chloride atom. While the Cu-N distances of th...

In the title polymer, [Cd(C(5)H(3)N(2)O(2))(NO(3))(H(2)O)](n), the Cd(II) atom is seven-coordinate in a distorted capped octa-hedral geometry by two N atoms of two different pyrimidine dicarboxyl-ate (pmc) ligands, three O atoms from three separate pmc ligands, and two O atoms of disordered nitrate anions or water mol-ecules. The Cd(II) atoms are bridged by the pmc ligands in a chelating/bridgi...

The three-dimensional solution structure of a 51-residue synthetic peptide comprising the dihydrolipoamide dehydrogenase (E3)-binding domain of the dihydrolipoamide succinyltransferase (E2) core of the 2-oxoglutarate dehydrogenase multienzyme complex of Escherichia coli has been determined by nuclear magnetic resonance spectroscopy and hybrid distance geometry-dynamical simulated annealing calc...

The title compound, 6C5H9N2 (+)·3SiF6 (2-)·CH3OH, (I), was prepared by recrystallization of the crude salt from methanol along with solvent-free 2C5H9N2 (+)·SiF6 (2-) (II). Crystals of these solvatomorphs can be separated manually. The solvate (I) crystallizes in a rare hexa-gonal space group P6/mcc. Its asymmetric unit comprises one half of an imidazolium cation bis-ected by the crystallograph...

BaCo(2)Sn(4)O(11) is isotypic with R-ferrite, BaTi(2)Fe(4)O(11). The Co atoms fully occupy trigonal-bipyramidal sites () and are disordered with Sn atoms in octa-hedral sites (.2/m symmetry), as represented in the formula BaCoSn(2)(Co(0.34)Sn(0.66))(4)O(11). Ba atoms are situated in a 12-fold coordinated site ( symmetry).

The 'symmetrical' 1,5-bis-[1-(2-hydroxy-phen-yl)ethyl-idene]thio-carbazone Schiff base condenses with dibutyl-tin oxide to form the title complex, [Sn(C(4)H(9))(2)(C(17)H(16)N(4)O(2)S)], in which the deprotonated ligand O,N,S-chelates to the Sn atom of two crystallographically independent mol-ecules. The ligand bears a formal negative charge on the S and one O atom; the other O atom retains its...

In the centrosymmetric title complex, [Cu(2)(C(12)H(10)N(4))(C(18)H(15)P)(4)](BF(4))(2)·2CH(2)Cl(2), the Cu(I) atom adopts a distorted tetra-hedral geometry, defined by two P atoms from two triphenyl-phosphine ligands and two N atoms from a pyridine-2-carbaldehyde azine ligand. The two Cu atoms are bridged by the centrosymmetric pyridine-2-carbaldehyde azine ligand. The F atoms of the tetra-flu...

The resonant-scattering contributions to single-crystal X-ray diffraction data enable the absolute structure of crystalline materials to be determined. Crystal structures can be determined even if they contain considerably disordered regions because a correction is available via a discrete Fourier transform of the residual electron density to approximate the X-ray scattering from the disordered...