issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

March 2000 issue

Highlighted illustration

Cover illustration: 25,27:26,28-Bis(3,9-dioxo-6-aza­un­decane-1,11-di­oxy)­calix[4]arene tetra­hydrate with the water molecules omitted. Displacement ellipsoids are at the 50% probability level. See Kim et al. [Acta Cryst. C56, 379-381].

inorganic compounds


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Linear polymeric edge-sharing CdCl6 octahedra are connected into sheets by bridging CuCl4(H2O)2. Hydro­gen bonding completes a three-dimensional network.

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The FeZn13 structure has been redetermined using diffraction data from a single crystal prepared by a flux method. In addition to Zn2 dumb-bells, the monoclinic cell contains Fe-centred Zn12 icosahedra which form infinite chains by vertex-sharing. Chains of icosahedra are linked by octahedra-sharing and by vertex-to-vertex bonding.

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The solid-state compound Sn4.4Mo24O38 is the first reduced molybdenum oxide in which infinite oxygen–molybdenum chains based on two different trans-edge-shared Mo6 octahedral clusters, i.e. dioctahedral Mo10 and trioctahedral Mo14 clusters, are present. The Sn2+ cations statistically occupy channels delimited by the Mo–O chains.

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The title compound, hexa­ammonium tetra-μ3-selenido-tetrakis(tri­cyano­molybdenum) hexahydrate, has cyclic hydrogen-bonded [{(NH4)(H2O)}3]3+ cations and [Mo4Se4(CN)12]6− cubane cluster anions. The cation assembly consists of alternating ammonium and water mol­ecules linked by N—H⋯O hydrogen bonds. Cations and anions are linked together by hydrogen bonds involving terminal N atoms of CN groups.

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The new crystal structure of Ba3V2(HPO4)6 consists of a three-dimensional network of vertex-sharing VIIIO6 and HPO4 groups which surround tunnels occupied by 12-coordinated Ba2+ cations.

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In monoclinic β-HBO2, endless zigzag chains are linked via an extensive system of hydrogen bonds with stronger major and weaker minor components. The unique three-dimensional tetrahedral network structure of cubic γ-HBO2 is stabilized by very short asymmetric hydrogen bonds and possesses small empty cages.

metal-organic compounds






















organic compounds



























electronic papers (inorganic compounds)


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The rubidium titanyl arsenate structure has been reinvestigated giving a structural model with well defined oxy­gen sites and reasonable displacement parameters.

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The title compound was obtained while attempting to produce N-salicyl­idene­tyrosinate oxovanadium complexes at pH ∼ 5 and probably resulted from the slow oxidation of VIVO2+ by atmospheric oxy­gen. Several decavanadate salts have been obtained under similar conditions.

Acta Cryst. (2000). C56, e77
doi: 10.1107/S0108270100002262
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The structure of hexaamminenickel(II) dichloride, originally determined at room temperature, has been redetermined at 173 K. There are no significant differences between these structures.

electronic papers (metal-organic compounds)


Acta Cryst. (2000). C56, e78
doi: 10.1107/S0108270100002250
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The title compound, bis­(tetra­hydro­borato)­[1,1,2,2-tetra­methyl-1,2-ethyl­enebis(η5-cyclo­penta­dienyl)]­zirconium, was obtained from the reaction of the zirconocene dichloride with lithium tetra­hydro­borate. The mol­ecule adopts an approximate C2v symmetry. Both tetra­hydro­borate ligands are η2-coordinated and tilted by 18–19° out of the equatorial plane.

Acta Cryst. (2000). C56, e79
doi: 10.1107/S0108270100002274
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The title complex shows a square-planar coordination and has an inversion centre at the Cu atom. The carboxyl­ate group of the N-acetyl­anthranilate ion acts as a monodentate donor ligand to copper and as an acceptor of an intramolecular hydrogen bond from the coordinated water mol­ecule.

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The two title compounds are isomorphous. The binuclear CuII units have a cage structure and are linked by dioxane mol­ecules to form a zigzag chain along the c axis. The binuclear copper unit and the dioxane ligand each has an inversion centre.

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In the title compound, the Tb atom of the trianionic cation lies on a site of \overline 3 crystallographic symmetry and the unique Tb—O distance is 2.278 (2) Å. One of the perchlorate anions has threefold crystallographic symmetry, while the other is disordered about a \overline 3 site.

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The title compound has crystallographic mirror symmetry and the coordination polyhedron around the Sn atom is a tetrahedron [C—Sn—C 139.3 (2)° and S—Sn—S 82.3 (1)°] distorted towards a skew-trapezoidal bipyramid owing to an intramolecular Sn⋯S contact [3.0427 (6) Å]. The mol­ecules are linked into a linear chain by intermolecular O—H⋯O hydrogen bonds [O⋯O 2.646 (3) Å].

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The Sn atom in the title compound is five-coordinate and has a trans-C3SnO2 trigonal-bipyramidal geometry arising from bridging through the O atom of the ureido fragment of an adjacent carboxyl­ate group. Infinite chains propagate helically along the c axis and adjacent chains are linked by N—H⋯O hydrogen bonds into layers.

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The crystal structure analysis of the substituted ferrocene complex 2-[2-(4-bromo­phenyl)-4-cyano-5-ferrocenyl­pyrazolo­[2,3-a]­pyridin-7-yl]­aceto­nitrile shows that the pyrazolopyridine ring system, the bromo­phenyl ring and the cyclo­penta­diene ring are nearly planar.

electronic papers (organic compounds)


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Two centrosymmetrically related donors in the title charge-transfer complex form a face-to-face π-dimer wi