issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

December 1998 issue

Highlighted illustration

Cover illustration: Tetrakis(tetramethylammonium) Dihydrogendecavanadate Acetic Acid 2.8-Hydrate, see Pecquenard et al., pages 1833-1835. Displacement ellipsoids are shown at the 50% probability level.

cif-access (inorganic compounds)


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The structure of K3[Co(CN)6] has been redetermined to provide more precise bond lengths and angles for shielded tensor calculations using density functional theory (DFT) methods. The three-dimensional network structure contains rectangular and distorted square channels.

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Distrontium diphosphate, alpha-Sr2P2O7, has been refined in the Pnma space group. However, the strong anisotropy along the b direction for some of the O atoms suggests atomic scale disorder associated with the local loss of mirror symmetry and centrosymmetry.

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Tetraphenylphosphonium tetrachlorooxovanadate(V) consists of anionic [OVCl4] square pyramids with local C4v symmetry. The V-O distances are 1.565 (3) Å, V-Cl is 2.2660 (6) Å, and the V atom is placed 0.527 (1) Å above the basal plane. The slightly squeezed tetraphenylphosphonium cations occupy positions with local S4 symmetry.

cif-access (metal-organic compounds)


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The structure and synthesis of the title compound are described. The asymmetric unit contains two molecules which display different hapticity.

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The title compound shows a distorted square-planar coordination geometry with an S2N2 donor set and a long-range apical interaction to the third S-atom donor.

cif-access (organic compounds)


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The title compound crystallizes in space group P21/n. The oxalate mono-anion deviates considerably from planarity. The structure is stabilized by an extensive network of N-H⋯O and O-H⋯O hydrogen bonds.

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The title compound, 1-[phenyl(1,4-selenazan-4-yl)methyl]pyrrolidine-2,5-dione, exists as a monomeric molecule whose selenamorpholinyl unit adopts a chair-shaped conformation.

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The first two representatives of alkoxynitrosoamines, namely, N,N'-dimethoxy-2,3-dimethyl-N,N'-dinitroso-2,3-butanediamine and N-formyl-N,N'-dimethoxy-2,3-dimethyl-N'-nitroso-2,3-butanediamine, have been studied and are isomorphic.

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The title compound was synthesized in two steps from phenylthioacetic acid. The molecular packing is stabilized by short C-H⋯O intermolecular hydrogen bonding and a network of van der Waals contacts.

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The title compound belongs to the family of bicyclo[2.2.0]hexanes. The C1-C4 and C3-C4 bond lengths [1.607 (3) and 1.592 (3) Å, respectively] of the two four-membered rings are significantly longer than the average bond length for such ring systems [1.554 (21) Å], which is obviously a result of angular strain.

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The title molecule appears to be approximately planar and is found to be in the E conformation. An intramolecular hydrogen bond is formed between the NH group and the adjacent nitro group.

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The molecules of the title compound are linked to form centrosymmetric dimers by O-H⋯O hydrogen bonds. The C=O distance [1.225 (4) Å] is slightly longer than the standard distance range for such dimers (1.205-1.215 Å) and the C-O(H) distance [1.293 (3) Å] is slightly shorter than the standard distance of 1.308 Å.

inorganic compounds


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The title compound contains discrete centrosymmetric [Au{TeO4(OH)2}2]5− anions in which the hydroxy H atoms have been located.

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The structure of Na5Bi2(AsO4)(As2O7)2, prepared by solid-state reaction, contains BiO6 octahedra and AsO4 tetrahedra sharing corners to form a three-dimensional framework. The structure exhibits large tunnels where Na+ cations are located.

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(NH4)4Na2[Mo2VIV2VV6O28].10H2O is a mixed V/Mo salt which has a well known decavanadate structure. The centrosymmetric polyanion consists of eight (V/Mo)O6 and two VO6 edge-sharing distorted octahedra.

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The asymmetric unit of the structure of (NP2Cl6)PCl6 contains two [N(PCl3)2]+ cations, both of which adopt trans-trans conformations, and two octahedral PCl6 anions.

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Cs3ZnI5 is isotypic with Cs3CoI5, The structure consists of distorted [ZnI4]2− tetrahedra and chains of face-sharing [Cs6I]5+ octahedra parallel to the x axis.

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The crystal structure of the title compound includes a nine-coordinate UIV center stitched together through hydrogen bonding with the counter-anions and molecule of solvation.

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K3TaS4 crystallizes with the K3VS4-type structure, based on discrete tetrahedral TaS43− anions, which are connected via K+ cations.

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A new dimeric ammonium cerium(IV) sulfate has been synthesized and its structure determined by single-crystal X-ray analysis.

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Sodium nickel polyphosphate is unlike other AM(PO3)3 (A = alkali metal and M = transition element) complexes, but resembles AgM(PO3)3 (M = Zn, Co, Ni or Mg). Columns of alternating Na and Ni atoms lie between the `zigzag' polyphosphate chains.

metal-organic compounds