The title compound, [Ni(C7H6N2O3)(C12H8N2)2]·3.5H2O, crystallizes as a neutral mononuclear complex with 3.5 solvent water mol-ecules. One of the water mol-ecules lies on an inversion centre, so that its H atoms are disordered over two sites. The coordination environment of Ni(II) has a slightly distorted octa-hedral geometry, which is formed by one O and five N atoms belonging to the N,O-chelat...

In the title compound, [Cd(C(18)H(18)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·1.5CH(3)CN·0.25H(2)O, the Cd(II) ion is coordinated by four N atoms and two O atoms from two tridentate 1,3-bis-(1-methyl-1H-benzimidazol-2-yl)-2-oxopropane ligands in a distorted octa-hedral coordination environment. The lengths of the chemically equivalent Cd-O bonds [2.4850 (16) and 2.5488 (16)Å] are signiificantly differen...

The title complex [CuCl(C12H8N2)2]2[Fe(CN)5(NO)]·C3H7NO, consists of discrete [Cu(phen)2Cl](+) cations (phen is 1,10-phenanthroline), [Fe(CN)5NO](2-) anions and one di-methyl-formamide (DMF) solvent mol-ecule of crystallization per asymmetric unit. The Cu(II) atom is coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal-bipyramidal geometry. The dihedral angle b...

The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972 (1) Å from the O atoms of the crown in the direction of the [P2...

The title complex, {[Co(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)]·3H(2)O}(n), was synthesized hydro-thermally. The unique Co(II) ion is coordin-ated in a distorted octa-hedral coordination environment by two water mol-ecules and three symmetry-related 1H-benzimid-azole-5,6-dicarboxyl-ate (Hbidc) ligands. The Hbidc ligands coordinate via a bis-chelating and mono-chelating carboxyl-ate group and by an i...

The first neighbour model, FNM, used frequently for the description of hydration has been modified by dropping the assumption that the structure of the "free" solvent is identical with that of the pure solvent. The modified model, FNM2, reproduces the experimental X-ray structure functions of alkali chloride solutions quite well and enables the study of perturbed solventsolvent interactions. Th...

The title complex, {[Co2(C18H4O10)(C14H14N4)2]·2H2O} n was synthesized from CoCl2·6H2O, 9,10-dioxo-9,10-dihydro-anthracene-1,4,5,8-tetra-carb-oxy-lic acid (H4AQTC) and 1,2-bis-[(1H-imidazol-1-yl)meth-yl]benzene (o-bix) in water. The anthraquinone unit is located about a crystallographic center of inversion. Each asymmetric unit therefore contains one Co(II) atom and one o-bix ligand, as well as...

The title one-dimensional coordination polymer, [Zn(C9H4O6)(C5H5N)2] n or [Zn(HBTC)(py)2] n , (I), where BTC is benzene-1,3,5-tricarboxylate and py is pyridine, is a solvent-free polymorph of [Zn(HBTC)(py)2]·2C2H5OH [Yaghi et al. (1997 ▶). Chem. Mater. 9, 1074-1076]. Differences in the spatial arrangements and supra-molecular packing of the [Zn(HBTC)(py)2] n chains in the two structures are des...

In the crystal structure of the title complex, [Mn(NCS)2(C6H8N2)(H2O)3]·2C6H8N2, the Mn(II) cation is coordinated by two terminally N-bonded thio-cyanate anions, three water mol-ecules and one 2,6-di-methyl-pyrazine ligand within a slightly distorted N3O3 octa-hedral geometry; the entire complex mol-ecule is generated by the application of a twofold rotation axis. The asymmetric unit also conta...

Nitrosocyanin (NC) is a mononuclear red copper protein isolated from the ammonia oxidizing bacterium Nitrosomonas europaea. Although NC exhibits some sequence homology to classic blue copper proteins, its spectroscopic and electrochemical properties are drastically different. The 1.65 A resolution crystal structure of oxidized NC reveals an unprecedented trimer of single domain cupredoxins. Eac...