The title complex, [PdCl(2)(C(18)H(15)P)(2)]·0.5C(6)H(6), has the Pd(II) ion in a square-planar coordination mode (r.m.s. deviation for Pd, P and Cl atoms = 0.024 Å) with the PPh(3) and Cl ligands mutually trans. The benzene solvent mol-ecule is located about a crystallographic inversion centre. The title complex is isostructural with trans-dichloridobis(triphenyl-phosphane)-palladium(II) 1,4-d...

The asymmetric unit of the title compound, (C(5)H(14)N(2))[SbCl(5)]·H(2)O, consists of an N-methyl-piperazinediium cation, a penta-chloridoanti-monate anion with the Sb(III) ion in a slightly distorted square-pyramidal coordination environment, and one solvent water mol-ecule. The crystal structure is stabilized by inter-molecular N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds.

The solvothermal reaction of Co(NO(3))(2) and 2,4,6-tris(4-pyridyl)-1,3,5-triazine in dimethyl-formamide/ethanol mixed solvent afforded the title coordination polymer, [Co(NO(3))(2)(C(18)H(12)N(6))](n), in which the Co(II) atom is seven-coordinated by pyridyl groups of three different ligands and two chelating nitrate anions. The complex displays a nano-sized porous metal-organic framework that...

In the title compound, [Cu(C(2)H(3)O(2))(2)(C(12)H(12)N(2))(2)]·H(2)O, the Cu(II) atom exhibits a distorted octa-hedral coordination geometry, defined by two N atoms from one 4,4'-dimethyl-2,2'-bipyridine ligand and four O atoms from two acetate ligands. In the crystal, O-H⋯O hydrogen bonds are observed between the coordinated carboxyl-ate O atoms and the solvent water mol-ecule.

In the title complex, [CdFe(C(17)H(14)P)(2)Cl(2)]·2CH(2)Cl(2), the Cd(II) atom has a distorted tetra-hedral coordination geometry by two chloride anions and two P atoms of 1,1'-bis-(diphenyl-phosphan-yl)ferrocene. In the crystal, complex mol-ecules are linked into a three-dimensional network by C-H⋯Cl hydrogen bonds involving the dichloro-methane solvent mol-ecules.

SUMMARY RankViaContact is a web service for calculation of residue-residue contact energies in proteins based on a coarse-grained model, and for visualization of interactions. The service provides information about ranked contact energies of residues, coordination numbers and the relative solvent accessibility of selected residues, as well as sequence and structure information. The program can ...

In the title compound, [Fe(C(12)H(8)N(3)O(2))(2)][Fe(C(12)H(8)N(3)O(2))(CN)(3)]·H(2)O, the Fe(3+) ions in the cation and anion each lie in a slightly distorted octa-hedral coordination environment. The solvent water mol-ecule is disordered over three positions with occupancies of 0.401 (7), 0.322 (7) and 0.277 (6). The water content was confirmed by thermogravimetric data.

The title compound, [Cu(NO(3))(C(18)H(15)P)(3)]·CH(3)OH, is a methanol solvate derivative of nitratotris(triphenyl-phos-phine)copper(I). The complex crystallizes with three triphenyl-phosphine ligands coordinated to the copper centre, with an O-H⋯O hydrogen bond observed between the nitrate ligand and the methanol solvent mol-ecule. The coordination around the Cu(I) centre is distorted tetrahed...

Metal coordination is used to alter the oligomerization state of a designed peptide structure. The 30-residue polypeptide AQ-Pal14Pal21contains two metal-binding 4-pyridylalanine (Pal) residues on its solvent-exposed surface and exists as a very stable two-stranded alpha-helical coiled-coil. Upon the addition of Pt(en)(NO3)2, a significant conformational change to a metal-bridged, four-helix bu...

In the title compound, [Pd(CH(3))Cl(C(25)H(22)NPS)]·0.5C(2)H(2)Cl(2), the Pd(II) atom is coordinated by the N,P-bidentate ligand, a methyl group and a chloride ion, generating a distorted square-planar PdCClNS coordination geometry, with the N and Cl atoms trans. The thio-phene ring is equally disordered over two orientations and the dichloro-methane solvent mol-ecule is disordered about an inv...