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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

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Acta Crystallographica Section C has recently published special issues on

NMR Crystallography (March 2017)

Scorpionates: a golden anniversary (November 2016)

Full details are available on the special issues page.

The latest virtual issue features Coordination polymers, with an introduction by Len Barbour.

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