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Halogen bonding: Another tool in the toolbox
26 August 2008
Kari Rissanen describes the growing use of halogen bonding by crystal engineers
Crystal phases get ID'd
20 August 2008
It is now easier to automatically ID crystal phases in zeolites, thanks to scientists in Spain
CrystEngComm: 10 years of publication, 10 most cited articles!
15 August 2008
Discover the ten most cited articles published in CrystEngComm.
Contents list for CrystEngComm, issue 9, 2008
Front cover
CrystEngComm, 2008, 10, 1093
DOI: 10.1039/b813290a
The coordination polymer containing [ErAg] mixed metal ions displays a charming infinite triple-stranded helical motif. Image reproduced by permission of Prof. Dr Peng Cheng from CrystEngComm, 2008, 10, 1144.
Inside front cover
CrystEngComm, 2008, 10, 1094
DOI: 10.1039/b813291g
Contents and Chemical Technology
CrystEngComm, 2008, 10, 1095
DOI: 10.1039/b813292p
Highlight
Halogen bonded supramolecular complexes and networks
Kari Rissanen,
CrystEngComm, 2008, 10, 1107
DOI: 10.1039/b803329n
Halogen bonding (XB), the long-lost brother of hydrogen bonding (HB), offers a new toolbox for design and construction of supramolecular complexes and 3-D networks. The halogen bonding is directional and robust, it is effective not only in the solid state and offers new prospects of soft matter design, such as supramolecular XB polymers and liquid crystals.
Communications
Co-crystallisation at high pressure—an additional tool for the preparation and study of co-crystals
Iain D. H. Oswald and Colin R. Pulham,
CrystEngComm, 2008, 10, 1114
DOI: 10.1039/b805591b
The first high-pressure co-crystallisation study has been performed on paracetamol and piperazine. A new ethanol solvate of a 2
:1 co-crystal of paracetamol:piperazine has been produced at 0.57 GPa.
A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between 
-stacked and H-bonded sheets of (m-BDTH)- organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)
George E. Kostakis, Ghulam Abbas, Christopher E. Anson and Annie K. Powell,
CrystEngComm, 2008, 10, 1117
DOI: 10.1039/b807028h
A new class of porous pillared-layer framework is exemplified by [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8) in which 2-D organic layers of -stacked and hydrogen-bonded 1,3-benzeneditetrazol-5-ylate anions are separated by [Ln(H2O)n]3+ cationic pillars with lattice waters forming helical chains which involve planar water pentamers for the Pr compound.
Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers
Michael Mastalerz, Hebert Jesus Estevez Rivera, Wiebke Hüggenberg, Klaus Merz, Iris M. Oppel and Gerald Dyker,
CrystEngComm, 2008, 10, 1120
DOI: 10.1039/b805082a
The self-aggregation of lower-rim functionalized pyridoxycalix[4]arene palladium complexes to supramolecular zig-zag chains is described. Additionally a crystallographic 
snapshot
of the degradation of the polymeric [PdCl2]n chain by the calixarene ligand is presented.
Generation of a 4-crossing [2]-catenane motif by the 2D
2D parallel interpenetration of pairs of (4,4) sheets
Jian-Qiang Liu, Yao-Yu Wang, Lu-Fang Ma, Gui-Lin Wen, Qi-Zhen Shi, Stuart R. Batten and Davide M. Proserpio,
CrystEngComm, 2008, 10, 1123
DOI: 10.1039/b808540b
A new series of structures in which 4-crossing [2]-catenane motifs are formed between pairs of interpenetrating 2D sheets.
The first uranyl–lanthanide heterometallic complexes: metal–organic frameworks with DOTA and oxalato ligands
Pierre Thuéry,
CrystEngComm, 2008, 10, 1126
DOI: 10.1039/b808611g
The macrocyclic ligand DOTA is able to encapsulate a lanthanide ion in its N4O4 site and coordinate four uranyl ions through its four carboxylate arms, thus giving the first uranyl–4f complexes.
A novel (4,8)-connected 3D polyoxometalate-based metal–organic framework containing an in situ ligand
Ya-Qian Lan, Shun-Li Li, Yang-Guang Li, Zhong-Min Su, Kui-Zhan Shao and Xin-Long Wang,
CrystEngComm, 2008, 10, 1129
DOI: 10.1039/b802627k
A novel (4,8)-connected 3D polyoxometalate-based metal–organic framework has been constructed using an in situ-generated ligand based on copper cations as square-planar four-connected nodes and Keggin polyanions as cubical eight-connected nodes.
Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group
David Fox, Pierangelo Metrangolo, Dario Pasini, Tullio Pilati, Giuseppe Resnati and Giancarlo Terraneo,
CrystEngComm, 2008, 10, 1132
DOI: 10.1039/b806911e
,
-Diiodoperfluoroalkanes self-assemble with trans-4,4
-azobipyridine through a site-selective recognition process involving only the pyridyl nitrogens, giving new possibilities of preparing photoswitchable materials by incorporating azo groups into halogen-bonded supramolecular architectures.
A zinc(II) coordination polymer constructed from mixed-ligand 1,2-bis(2-(1H-imidazol-1-yl)ethoxy)ethane and 1,4-benzenedicarboxylic acid
Yan Qi, Yun-Xia Che and Ji-Min Zheng,
CrystEngComm, 2008, 10, 1137
DOI: 10.1039/b801387j
Compound [Zn3(BDC)3(L)2] (1) is an example of the 1,2-bis(2-(1H-imidazol-1-yl)ethoxy)ethane (L) ligand, exhibiting an eight-connected 36·418·53·6 net.
Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization
En-Cui Yang, Zhong-Yi Liu, Xiu-Guang Wang, Stuart R. Batten and Xiao-Jun Zhao,
CrystEngComm, 2008, 10, 1140
DOI: 10.1039/b804944k
Three crystals, a 3-D microporous framework for 1 and a 3-D pillared-layer structure for 2, and a 1-D chain motif for 3 have been isolated by crystallization of reaction mixture and evaporation of the filtrates.
Structures and near-infrared luminescence of unique 4d–4f heterometal–organic frameworks (HMOF)
B. Zhao, X-Q. Zhao, Z. Chen, W. Shi, P. Cheng, S-P. Yan and D-Z. Liao,
CrystEngComm, 2008, 10, 1144
DOI: 10.1039/b807491g
Two unique HMOF related to 4d–4f mixed ions were constructed, exhibiting an infinite triple-stranded helical motif and a sandwich-type 3D framework with 1D channel. NIR emission demonstrated that both L and HO–L ligands were good candidates to effectively sensitize luminescence of Er3+.
Papers
The interplay of coordinative and hydrogen-bonding in directing the [M(4,4-bpy)2(H2O)2] square-grid networks: formation of 3D porous framework [Cd(4,4-bpy)2(H2O)2](ClO4)2(4,4-bpy)(CH3OH)2
Ji-Jun Jiang, Yong-Ru Liu, Rui Yang, Mei Pan, Rong Cao and Cheng-Yong Su,
CrystEngComm, 2008, 10, 1147
DOI: 10.1039/b719970h
The synergistic interplay of the coordinative and hydrogen-bonding interactions leads to an assembly of a rare self-catenated 3D framework containing 1D channels.
A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations
Peter A. Wood, Duncan Francis, William G. Marshall, Stephen A. Moggach, Simon Parsons, Elna Pidcock and Andrew L. Rohl,
CrystEngComm, 2008, 10, 1154
DOI: 10.1039/b801571f
The crystal structures of L-serine phases I, II and III have been optimised at pressures from ambient pressure to 8.1 GPa using ab initio density functional theory. The phase-I to II transition is driven by a change in conformation of the serine molecules and a reduction in volume, while an intermolecular OH
carboxylate hydrogen bond strengthens during the II-to-III transition.
Crystal engineering of zinc(II) metal–organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands
Raju Mondal, Manas Kumar Bhunia and Koushik Dhara,
CrystEngComm, 2008, 10, 1167
DOI: 10.1039/b800908b
The control of the vertex geometry of the three novel 2D and 3D coordination polymers was achieved by employing a flexible, sterically hindered ligand. Subsequently, employment of benzene polycarboxylic acids with well-defined angular disposition of coordinating sites has resulted in three polymeric networks with more or less predictable topologies.
Observation of helical water chains reversibly inlayed in magnesium imidazole-4,5-dicarboxylate
Rui-Qin Zhong, Ru-Qiang Zou, Miao Du, Nobuhiko Takeichi and Qiang Xu,
CrystEngComm, 2008, 10, 1175
DOI: 10.1039/b806210m
A helical water chain, reversibly inlayed in a magnesium imidazole-4,5-dicarboxylate, was characterized by a single-crystal X-ray diffraction study, temperature-variable Fourier transform infrared spectroscopy, powder X-ray diffraction, and thermogravimetric analysis.
Hydrogen bonded networks in N–alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts
Matthew G. Fisher, Philip A. Gale, Mark E. Light and Roberto Quesada,
CrystEngComm, 2008, 10, 1180
DOI: 10.1039/b803260b
The solid state structures of ten complex salts composed by tetrakis(N-substituted thiourea)Pt(II) cations and carbodianions and carboxylate anions are reported. The effect of the variation in the number of hydrogen bond donors and conformation of the coordinated ligands in the resulting hydrogen bonded networks is discussed.
Metal–organic coordination frameworks assembled with the long flexible ligand 4,4-bis(imidazol-1-ylmethyl)biphenyl
Lucia Carlucci, Gianfranco Ciani, Simona Maggini and Davide M. Proserpio,
CrystEngComm, 2008, 10, 1191
DOI: 10.1039/b803815e
The use of the flexible 4,4-bis(imidazol-1-ylmethyl)biphenyl ligand affords nine coordination polymers that include different structural motifs with variated dimensionality and topology: 1D single- and double-stranded chains, 2D (4,4) and (6,3) layers and 3D coordination frameworks with the dia and cds topologies.
Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units
Qian Xin, Xu-Tang Tao, Hui-Jun Liu, Yan Ren and Min-Hua Jiang,
CrystEngComm, 2008, 10, 1204
DOI: 10.1039/b801899e
Three new fluorene based Tröger's base (TB) analogues TB1-3 have been reported. Different substitutions (n-butyl and bromine) cause different packing forces which make the three TB analogues form different packing structures. TB1 shows – chains while TB2 shows molecular pens and TB3 shows -halogen dimers (PHDs).
Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture
Fang-Kuo Wang, Shi-Yao Yang, Rong-Bin Huang, Lan-Sun Zheng and Stuart R. Batten,
CrystEngComm, 2008, 10, 1211
DOI: 10.1039/b718995h
By changing the ratio of the solvents, the coordination environments of the metal ions can be tuned, giving control over the topologies of the coordination polymers.
New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges
Oksana A. Bondar, Liliana V. Lukashuk, Andrey B. Lysenko, Harald Krautscheid, Eduard B. Rusanov, Alexander N. Chernega and Konstantin V. Domasevitch,
CrystEngComm, 2008, 10, 1216
DOI: 10.1039/b806671j
The extended 1,2,4-triazole/tetrazolate ligands revealed a tetradentate coordination towards Cu(II) cations that promotes their rational integrations through either the linear cluster Cu3(
2–OH)24+ units or polynuclear chains into the metal–organic frameworks.
Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains
Shuo-ping Chen, Ming Li, Yong Xiao, Yi-xuan Yuan, Ling-ling Pan and Liang-jie Yuan,
CrystEngComm, 2008, 10, 1227
DOI: 10.1039/b804001j
The structures of four salts containing hexa(imidazole)nickel(II) cations and phosphate anions which are held together by hydrogen bonds are described, looking at the role of each of the structural components.
Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4-biphenyldicarboxylate ligand
Yin-Feng Han, Xin-Hui Zhou, You-Xuan Zheng, Zhen Shen, You Song and Xiao-Zeng You,
CrystEngComm, 2008, 10, 1237
DOI: 10.1039/b803168a
Six isomorphous 3D nanoporous lanthanide coordination polymers containing two types of 1D open channels have been synthesized and structurally characterized. Compound 1 shows a EuIII characteristic luminescence in the visible region while compound 6 displays strong NdIII characteristic emissions in the NIR region which has potential application for optical devices.
Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands
Yu-Fei Song, Phil J. Kitson, De-Liang Long, Alexis D. C. Parenty, Robert J. Thatcher and Leroy Cronin,
CrystEngComm, 2008, 10, 1243
DOI: 10.1039/b802541j
Two new ligands, 2,3-dihydro-1-(2-pyridyl-methyl)-imidazo[1,2-f]phenanthridinium bromide (L1·Br) and 2,3-dihydro-1-(4-pyridyl-methyl)-imidazo[1,2-f]phenanthridinium bromide (L2·Br) have been synthesized, and their coordination chemistry with Cu(II) has been investigated and six new structures are presented.
Several slice-like organic crystals grown by the physical vapor transport method: combining atomic force microscopy and X-ray diffraction to explore the characteristics of crystal formation
H. Wang, Z. Q. Xie, B. Yang, F. Z. Shen, Y. P. Li and Y. G. Ma,
CrystEngComm, 2008, 10, 1252
DOI: 10.1039/b805512b
Slice-like crystals grown from the physical vapor transport (PVT) method have layer-by-layer structures and layer-plus-island growth mode by X-ray diffraction (XRD) and atomic force microscopy (AFM) analysis. The main driving force for crystal formation depends solely on the molecular interactions.
The relevance of chirality in space group analysis: A database study of common hydrogen-bonding motifs and their symmetry preferences
Archan Dey and Elna Pidcock,
CrystEngComm, 2008, 10, 1258
DOI: 10.1039/b806645k
The symmetry preferences of particular H-bonding motifs are highlighted by examining the populations of centrosymmetric (C), Sohncke (S) and non-centrosymmetric/non-Sohncke (NC) space groups with respect to the chirality of the participating molecules.
Letter
The nature of unusual, hydrated, hydroxide anions. The structure of an infinite, 3-D, array of polymeric H13O7- anions linked by cyclic, tetrameric, water clusters of composition H8O4
Ivan Bernal,
CrystEngComm, 2008, 10, 1265
DOI: 10.1039/b802440p
In the seven-membered rings, at left and right, O9 is the hydroxide anion. The seven-membered rings are part of an infinite, fused, sheet of anions of composition [(H2O)6(OH-)]n. The sheets are inter-connected by four-membered rings of composition [(H2O)4].
Back matter
CrystEngComm, 2008, 10, 1266
DOI: 10.1039/b813297f
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