issue contents

Journal logoSTRUCTURAL
ISSN: 2053-2296

October 2000 issue

Highlighted illustration

Cover illustration: A dicationic gallium-oxo-hydroxide cage compound. Displacement ellipsoids are shown at the 35% probability level. See Swenson, Dagorne & Jordan [Acta Cryst. (2000), C56, 1213-1215].

inorganic compounds

link to html
The title quaternary oxide, trisodium dicalcium tantalum hexaoxide, is isostructural with Li3Ni2TaO6, a partially ordered rock-salt phase. The Na, Ca and Ta atoms occupy octahedral sites in an orderly manner and form a cation-ordered superstructure.

link to html
A full single-crystal structure analysis of [Ba(OH)I(H2O)4] reveals intra- and intermolecular hydrogen bonding, leading to a three-dimensional network. The compound is an intermediate between BaI2 and the gel of Ba(OH)2(H2O)x.

link to html
The structure of K3NaSn3Se8 is composed of tritetrahedral [Sn3Se8]4− anions, which are separated by four-coordinate Na+ and eight-coordinate K+ cations.

metal-organic compounds

organic compounds

electronic papers (inorganic compounds)

Acta Cryst. (2000). C56, e421
doi: 10.1107/S0108270100011690
link to html
Synthetic mansfieldite is confirmed to be a variscite-type phase. cis-AlO4(H2O)2 octahedra and AsO4 tetrahedra form a dense vertex-sharing network. The O—H⋯O hydrogen-bonding network has been elucidated.

Acta Cryst. (2000). C56, e422
doi: 10.1107/S0108270100011719
link to html
Caesium vanadium(V) selenite contains vertex-sharing layers of distorted VO6 octahedra, capped by pyramidal selenite groups. Interlayer caesium cations complete the structure, which is isostructural with M(VO2)3(SeO3)2 (M = NH4+, K+) and Cs(VO2)3(TeO3)2.

link to html
The title double salt was obtained from the reaction of Y(NO3)3 and K6[H4Co2Mo10O38]·5H2O at a pH of about 2.0. The [H6CoMo6O24]3− anion is a typical B-type Anderson-structure heteropolyanion.

electronic papers (metal-organic compounds)

Acta Cryst. (2000). C56, e425
doi: 10.1107/S0108270100011653
link to html
The structure of the title compound comprises a zigzag polymer of alternating tetrakis­(μ-carboxyl­ato-O:O′)­dicopper(II) and 2-amino­pyrimidine units linked by axial Cu—N bonds, and the non-centrosymmetric structure has four unique (3-methoxy­phenyl)­acetate moieties.

link to html
In complexes of the ligand 3,5-bis(2-pyridinyl)-1,3,4-oxa­diazole (pod), coordination is through one pyridine and one oxa­diazole N atom, i.e. it behaves as a bidentate ligand. Octahedral coordination of the Cu or Ni metal atom in the title complexes, (I) and (II), respectively, is achieved by two pod ligands and two water mol­ecules in axial positions.

Acta Cryst. (2000). C56, e429
doi: 10.1107/S0108270100011896
link to html
The title ruthenium complex contains a monodentate (C4H9)PPh2 ligand coordinated by the P atom. Coordination about the metal centre is completed by a η6-p-cymene ligand and two Cl atoms.

link to html
Bridging by the two thio­cyanate groups in centrosymmetric six-coordinate bis­(di­phenyl­thio­urea)­bis­(thio­cyanato)­cadmium(II) dihydrate leads to the formation of eight-membered [Cd—SCN→Cd—SCN→] rings that are linked at the metal atom to furnish chains running parallel to the a axis.

link to html
In the title compound, the sodium ion is coordinated in a distorted octahedral manner by two carboxyl­ate O atoms and two water O atoms. Each of these water mol­ecules bridges two adjacent Na ions, resulting in two four-membered rings of the type Na–O–Na–O.

Acta Cryst. (2000). C56, e434
doi: 10.1107/S0108270100012075
link to html
A pseudo-tetrahedral Ni complex has been formed as a result of incomplete bis-chelation of Ni2+ by L. The dihedral angle at nickel is 68.8 (1)°. A trigonal–planar LiO3 coordination is formed, with Li—O distances of 1.801 (6), 1.825 (6) and 1.842 (6) Å.

link to html
The three title complexes, (I)–(III), are isomorphous and isostructural and have crystallographic D3 symmetry. The lanthanide metal ions are coordinated by nine O atoms in a skewed tricapped trigonal prismatic geometry.

Acta Cryst. (2000). C56, e437
doi: 10.1107/S0108270100012105
link to html
Reaction of CuBr2 with 2,6-di­amino­pyridine in HBr solution leads to 3,5-dibromination of the pyridininium ring. The resultant cation was isolated as the [CuBr4]2− salt. The di­amino­di­bromo­pyridinium ions are planar, while the CuII ions have a distorted compressed tetrahedral coordination with C2 symmetry.

Acta Cryst. (2000). C56, e438
doi: 10.1107/S0108270100012129
link to html
The structure consists of C7H11N2+ cations and centrosymmetric [SnCl6]2− octahedra. The octahedral [SnCl6]2− anion is hydrogen bonded via trans-Cl atoms to pyridinium N atoms from two cations forming (C7H11N2)2[SnCl6] structural units.

link to html
The first RuIII–thz (thz is 1,3-thia­zole) complex characterized via X-ray diffraction, mer-[Ru­Cl3­(C3H3NS)3], is a potentially cytostatic compound and consists of discrete complex mol­ecules with an octahedral coordination sphere in which the metal centre is linked to three chloride ions and to three thz ligands through the N atoms. The compound was prepared from the reaction of K3RuCl6 and excess thia­zole in MeOH. The Ru—Cl and Ru—N bond distances average 2.3462 (6) and 2.0851 (19) Å, respectively.

link to html
The structure of the title compound consists of β-[Mo8O26]4− polyanions and imidazolium cations. A γ→β conversion is produced in the presence of Cu(NO3)2·3H2O.

link to html
The centrosymmetric [Mo4O10(OCH3)4Cl2]2− anion is built up of four edge-sharing octahedra, two MoO6 and two MoO5Cl.

link to html
In the title complex, the Mn atom is coordinated by three N atoms and three O atoms from three pyridine­carboxyl­ate ligands in a distorted octahedral geometry. One ligand is protonated and is hydrogen bonded to the hydro­xide anion.

Acta Cryst. (2000). C56, e447
doi: 10.1107/S0108270100012488
link to html
The title compound is a one-dimensional heterometallic coordination polymer of the zigzag-type with the molecular composition [(dmpda)Pt(isonic)2Cu(H2O)3](NO3)2, where dmpda is 2,2-di­methyl-1,3-propane­di­amine and isonic is isonicotinate. One Cu atom links two platinum complex mol­ecules through coordination to two carboxyl­ate groups from the two platinum complex units, and the polymer has repeat zigzag units in which the Cu—Pt—Cu angle is 64.9°.

link to html
The Fe atom in the low-temperature (173 K) structure of the title metal–organic chemical vapour deposition (MOCVD) precursor is octahedrally coordinated and the three chelate rings are found to be significantly non-planar, adopting a half-chair conformation with the Fe atom out of the plane. The structure exhibits only intramolecular C—H⋯O interactions.