issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

May 2014 issue

Highlighted illustration

Cover illustration: Pseudo-hexa­gonal packing in the crystal structure of tetra­ethyl­ammonium tetra­chlorido­ferrate(III) at 110 K. See Lutz, Huang, Moret & Klein Gebbink [Acta Cryst. (2014), C70, 470-476].

research papers


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Three soft scorpionate coordination complexes of alkali metals are presented together with an overview of the structural preferences of alkali metal soft scorpionate complexes. This analysis suggests that these thione-based ligands will continue to be a rich source of inter­esting alkali metal motifs worthy of isolation and characterization.

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Hydro­thermal synthesis yields a one-dimensional lead(II) coordination polymer of 5-carb­oxy-2-(pyridin-3-yl)-1H-imidazole-4-carboxyl­ate, in which aromatic stacking and hydrogen bonds lead to a three-dimensional supra­molecular architecture.

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Two new diamagnetic FeII coordination compounds are ionic, with distorted octa­hedral [Fe(phen)3]2+ or [Fe(bpy)3]2+ complex cations (phen is 1,10-phenanthroline and bpy is 2,2′-bi­pyridine) and two uncoordinated planar tri­cyano­methanide (tcm) counter-anions balancing the positive charges of the cations. The structures are stabilized by π–π inter­actions between stacked aromatic rings of adjacent phen mol­ecules and by O—H⋯N hydrogen bonds.

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In a complex salt composed of an [Fe(CN)5(pyrazole)]2− dianion and two 1H-pyrazol-2-ium cations, the dianion is a mononuclear cluster in which the FeIII cation is coordinated by five cyanide ligands and by one of the N atoms of a pyrazole ligand. A three-dimensional supra­molecular network is formed through a rich scheme of N—H⋯N hydrogen bonds and C—H⋯π inter­actions among the cations and anions.

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In a two-dimensional cobalt(II) coordination polymer of benzene-1,2-di­carboxyl­ate and 4,4′-bi­pyridine, inter­planar cohesion is achieved via oligomeric solvent water clusters.

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An organic–inorganic hybrid complex consists of hydrogen-bonded 2-methyl­piperazinediium cations in the presence of one-dimensional polymeric {[CdCl33-Cl)]2−}n anions. The CdII centres are hexa­coordinated by three terminal chlorides and three bridging chlorides and have a slightly distorted octa­hedral arrangement.

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The molecular structure of high-spin (S = 5\over 2) manganese(II) bromide phthalocyanine as the tetrabutylammonium salt has been determined. The geometry of the MnIIN4 fragment in this salt is similar to that of the high-spin (S = 5\over 2) manganese(II) tetra­phenyl­porphyrin complex with 1-methyimidazole.

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A novel nitride was synthesized from Sr3N2, EuN, Si3N4, AlN and BN under nitro­gen gas pressure. The structure consists of a host framework with Sr/Eu atoms accommodated in the cavities. The host framework is constructed by the linkage of MN4 tetra­hedra (M = Si, Al) and BN3 triangles, and contains substitutional disorder described by the alternative occupation of B2 or Si2N on the (0, 0, z) axis.

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In the crystal structures of two crown-ether-coordinated caesium halogen salt hydrates, hydrogen bonds between bromide ligands and water mol­ecules lead to one-dimensional chains running along the b axis in one compound, whereas two-dimensional sheets of water mol­ecules and chloride ligands are formed which combine with the polymeric caesium–crown polymer to give a three-dimensional network in the other complex. Although both compounds have a similar composition, i.e. a Cs+ cation with a halogen, an 18-crown-6 ether and a water ligand, the crystal structures are rather different. [OK?]

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Fc(PSPh2)(CH2SPSPh2), a new chiral ferrocenyl (Fc) compound, is the precursor to a new P,S-coordinating ferrocenyl ligand, [Fc(PPh2)(CH2S)], which reacts with Pd and Pt precursors giving dinuclear complexes displaying a butterfly geometry.

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Multiple hydrogen bonds in tris­(2,2′-bi­pyridine)­iron(II) bis­(1,1,3,3-tetra­cyano-2-eth­oxy­propenide) link water mol­ecules, anions and chiral cations into two inter­penetrating chiral frameworks.

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At room temperature, tetra­ethyl­ammonium tetra­chlorido­ferrate(III) has a disordered structure in the high-hexa­gonal space group P63mc. At 230 K, the structure is merohedrally twinned in the low-hexa­gonal space group P63. At 170 and 110 K, the structure is identical in the ortho­rhom­bic space group Pca21 and twinned by reticular pseudomerohedry. All three space groups are polar and the direction of the polar axis is not affected by the twinning.

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The new penta­hydrate of bis­(2,2′-bi­pyridine)­oxalatonickel(II) was obtained from a reaction at 281 K, whereas the previously reported tetra­hydrate was obtained at room temperature. The complex mol­ecules are involved in an extended system of hydrogen bonds with solvent water mol­ecules. Additionally, π–π inter­actions also contribute to the stabilization of the extended structure.

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The Se⋯O distance of 2.302 (3) Å in the title compound, combined with a longer than usual amide C=O bond of 2.252 (5) Å, suggest a significant inter­action between the amide O atom and its adjacent Se atom. An analysis of related structures containing an Se—Se⋯X unit (X = Se, S, O) shows a strong correlation between the Se—Se bond length and the strength of the Se⋯X inter­action.

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A novel infinite two-dimensional cadmium(II) polymer and a one-dimensional cobalt(II) polymer constructed by benzene-1,4-di­carboxyl­ate ligands are formed. The two complexes are finally assembled to form three-dimensional network structures.

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The comparison of the crystal structures of 5-(4-nitro­phenyl­diazen­yl)salicylic acid and two related salts shows that the intra­molecular O—H⋯O hydrogen bonds in the anions are stronger than that in the neutral mol­ecule. The nitro­phenyl­diazenyl and carb­oxy­lic acid/carboxyl­ate groups in the neutral molecule and the sodium salt are located anti to each other, whereas in the ammonium salt, the anion adopts a syn conformation.

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In a novel three-dimensional ZnII complex prepared by the solvothermal assembly of Zn(NO3)·6H2O, naphthalene-1,4-di­carb­oxy­lic acid (1,4-H2ndc) and 4,4′-bi­pyridine (bpy), the two crystallographically independent Zn atoms adopt the same four-coordinated tetra­hedral ZnO3N geometry. The supra­molecular secondary building unit (SBU) is a distorted paddle-wheel-like {Zn2(COO)2N2O2} unit and these units are linked by 1,4-ndc ligands within the layer to form a two-dimensional net parallel to the ab plane, which is further connected by bpy ligands to give rise to a three-dimensional framework.

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Two novel polymers exhibiting metal–organic frameworks (MOFs) have been synthesized by the combination of a metal ion with benzene-1,3,5-tri­carboxyl­ic acid and 1,10-phenanthroline under hydro­thermal conditions. The overall topology of the ZnII MOF is that of a 63 net and that of the MnII MOF is a rutile net.

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The structures of two new electro­neutral (penta­fluoro­ethyl)phosphane-ligand-containing Mo complexes are reported. Key distance and angle values are compared with those of similar complexes.

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In the crystal structure of (H3O)2NaAl3F12, the hydrogen bonding of H3O+ cations with F anions implies a strong tilt of the AlF6 octa­hedra from the normal to the plane of the corrugated [AlF4]n HTB (hexa­gonal tungsten bronze) layers.

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A new two-dimensional cadmium(II) coordination polymer containing 44-membered metallamacrocycles and helical chains has been prepared under solvo­thermal conditions using flexible 2,2′-(disulfane­diyl)di­benzoate and 1,10-phenanthroline ligands.

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Two different one-dimensional supra­molecular chains with CoII cations have been synthesized based on the semi-rigid ligand 2-[1-(pyridin-4-ylmethyl)-1H-benzimidazol-2-yl)quinoline (L), obtained by condensation of 2-(1H-benzimidazol-2-yl)quinoline and 4-(chloro­methyl)pyridine hydro­chloride, and the precursors Co(NO3)2 and CoCl2.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

The Structural Chemistry of Homogeneous and Heterogeneous Catalysts

NMR Crystallography

Full details are available on the special issues page.

The latest virtual issue, featuring Coordination polymers and with an introduction by Len Barbour, was published in July 2014.

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