Project description:The asymmetric unit of the title complex, [Cu(4)Fe(CN)(6)(C(6)H(18)N(4))(4)][Fe(CN)(5)(NO)](2)·6H(2)O, comprises a complex [{Cu(tren)CN}(4)Fe(CN)(2)](4+) [tren is tris-(2-amino-eth-yl)amine] cation, which exhibits -1 symmetry with the terminal cyanide ligands oriented trans to each other, and two [Fe(CN)(5)(NO)](2-) nitroprussiate counter-anions. In the crystal, N-H?N hydrogen-bonding inter-actions are observed between H atoms on the primary amine groups of the tren ligand and the terminal cyanide groups of the nitro-prussiate counter-ions. The N atom in the terminal CN ligand of the cation is equally disordered over two positions. The structure also contains disordered lattice water mol-ecules. Their contribution was elimin-ated from the refinement using the procedure described by van der Sluis & Spek (1990 ?).
Project description:The title compound, [Cu8(C4H9O)4(C4F9O)4], crystallizes in the monoclinic space group, P21/n and contains a self-assembly of two C16H18Cu4F18O4 units linked by bridging tert-butyl groups [Cu-O bonds of length 2.3779 (15) and 2.4248 (15) Å], generating a centrosymmetric dimer. The asymmetrical unit, C16H18Cu4F18O4, contains an almost square-planar arrangement of the four Cu atoms linked by bridging tert-butyl and perfluorinated tert-butyl groups with Cu-Cu distances ranging from 2.7108 (4) to 2.7612 (4) Å and Cu -Cu-Cu angle values close to 90° [ranging from 89.459 (10)° to 90.025 (11)°]. These dimers are further linked by weak C-H⋯F and F⋯F inter-actions. As is commonly encountered in perfluorinated tert-butyl groups, one of the CF3 groups is disordered and was refined with two equivalent conformations with occupancies of 0.74 (3) and 0.26 (3).
Project description:The asymmetric unit of the title compound, [CuCl(2)(C(5)H(6)N(2))(4)]·H(2)O, contains two crystallographically independent complex mol-ecules and two water mol-ecules. The Cu(II) ion in each mol-ecule is six-coordinated in an elongated octa-hedral geometry, with the equatorial plane defined by four pyridine N atoms of four amino-pyridine ligands and the axial positions occupied by two Cl atoms. In the crystal structure, mol-ecules are linked into a three-dimensional framework by C-H⋯Cl, O-H⋯Cl, N-H⋯O, N-H⋯Cl and N-H⋯N hydrogen bonds and C/N-H⋯π inter-actions involving the pyridine rings.
Project description:The title compound, [Cu2(CN)3(C6H18N4)] or [Cu(trien)(CN)Cu(CN)2], where trien is triethyl-ene-tetra-mine, is a mixed-valence complex crystallizing as discrete mol-ecules, with Cu(I) and Cu(II) ions linked by a bridging cyanide group. The Cu(II) ion is in a square-pyramidal coordination environment, with the N atoms of the tetra-dentate trien ligand occupying the basal positions and Cu-N bond lengths in the range 2.028 (4)-2.047 (4) Å. An N-bonded cyanide group is in the apical position, with a slightly longer Cu-N bond length of 2.127 (4) Å. The Cu(I) ion exhibits a trigonal-planar coordination geometry, bonded to the C atoms of the bridging cyanide group and two terminal cyanide groups with Cu-C bond lengths in the range 1.925 (4)-1.948 (5) Å. In the crystal, hydrogen bonding involving the tertiary N-H groups of the trien ligand and N atoms of symmetry-related terminal cyanide groups links mol-ecules into a ribbon extending in the b-axis direction.
Project description:The title compound consists of 1-butyl-3-methylimidazolium cations, tribromido(triphenylphophine)nickelate(II) anions and co-crystallized 1-butanol solvent molecules. The solvated title salt, (C8H15N2)[NiBr3(P(C6H5)3)]·0.5C4H10O, was obtained in the form of single crystals directly from the reaction mixture. The molecular structure consists of separated 1-butyl-3-methylimidazolium cations, tribromido(triphenylphosphane)nickelate(II) anions and half a solvent molecule of 1-butanol, all connected via multiple hydrogen contacts to form a three-dimensional network. The co-crystallized 1-butanol molecule is disordered and adopts two orientations. The central C—C bonds of both orientations are located on an inversion centre (Wyckoff site 2b of space group P21/n). Thereby, each orientation has again two orientations with the OH group being located either on one or the other side of the C4 alkyl chain. The dried solvent-free compound exhibits a relatively low melting point (m.p. = 412 K).
Project description:The asymmetric unit of the title compound, {[Cu(2)Fe(CN)(6)(C(2)H(8)N(2))(4)]·4.5H(2)O}(n), consists of two [Cu(C(2)H(8)N(2))(2)](2+) cations, one [Fe(CN)(6)](4-) anion, four water mol-ecules and a half water mol-ecule that lies on a twofold rotation axis. The Fe(II) atom is coordinated by six C atoms from three terminal and three doubly bridging CN(-) ligands. The bridging CN(-) ligands connect the anion to a five-coordinate [Cu(C(2)H(8)N(2))(2)](2+) cation and to two symmetry-related six-coordinate [Cu(C(2)H(8)N(2))(2)](2+) cations, forming a one-dimensional polymer in the ab plane. Inter-molecular hydrogen bonds connect the polymer units into a three-dimensional network.
Project description:The Cu atom in the title compound, [CuBr(2)(C(7)H(6)N(2))(4)], is surrounded by four N-heterocycles that define an N(4) square-planar geometry. The coordination geometry is distorted towards an elongated octa-hedron owing to the presence of the two Br(-) anions, which are located at about 3 Å above and below the square plane. There are two independent molecules in the asymmetric unit, each with their Cu atom lying on an inversion centre.
Project description:The title compound, [Cu(CN)(C(12)H(8)N(2))(2)](2)[Fe(CN)(5)(NO)]·C(3)H(7)NO, is formed of discrete [Cu(phen)(2)CN](+) cations (phen is 1,10-phenanthroline), nitro-prusside [Fe(CN)(5)(NO)](2-) anions and dimethyl-formamide (DMF) mol-ecules of crystallization. The metal atom has a distorted trigonal-bipyra-midal coordination environment, defined by four N atoms of two phen mol-ecules and a C atom of the cyanide group (in the equatorial position). The [Fe(CN)(5)(NO)](2-) anion was found to be disordered about (but not on) a crystallographic twofold rotation axis. Geometries were restrained to ideal values. The dimethyl-formamide solvent mol-ecule was found to be disordered about a crystallographic inversion centre.
Project description:The title complex, [Ni(C(12)H(8)N(2))(2)(H(2)O)(2)][Ni(CN)(4)]·C(4)H(8)O·H(2)O, consists of a cationic [Ni(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) unit, an anionic [Ni(CN)(4)](2-) unit, one uncoordinated water and one tetra-hydro-furan mol-ecule. In the cationic unit, the Ni(2+) atom is coordinated by four N atoms and two O atoms from two 1,10-phenanthroline ligands and two water mol-ecules in a distorted octa-hedral coordination environment. In the anionic unit, the Ni(2+) atom is in a square-planar coordination by four C atoms from four monodentate terminal cyanide ligands. O-H⋯N and O-H⋯O hydrogen bonds link neighboring cationic and anionic units, forming a three-dimensional supra-molecular network. The inter-stitial tetra-hydro-furan mol-ecule is independently disordered over two sites in a 1:1 ratio.
Project description:The title complex [Cu(C10H8N2)3][Fe(CN)5(NO)]·2CH3OH·H2O, consists of discrete [Cu(bpy)3](2+) cations (bpy is 2,2'-bipyridine), [Fe(CN)5NO](2-) anions and solvent mol-ecules of crystallization (two methanol mol-ecules and one water mol-ecules per asymmetric unit). The Cu(II) ion adopts a distorted octa-hedral environment, coordinated by six N atoms from three bpy ligands. The cation charge is balanced by a nitro-prusside counter-anion, which has a slightly distorted octa-hedral coordination geometry. In the crystal, anions and solvent mol-ecules are involved in O-H⋯N and O-H⋯O hydrogen bonds, which form chains along [100]. The cations are located between these chains.