Topos: Program package for topological analysis of crystal structures

Блатов, В. А.; Шевченко, А. П.; Сережкин, В. Н.

doi:10.1007/bf00753587

Cited by 87 publications

(103 citation statements)

References 3 publications

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“…Topological analyses were not performed for most of these 3D networks in the original publication, so we reexamine the structures for comparison. In the Co(II) compound with 3-pyca each dinuclear motif is linked to four others by four double linkers (i.e., four pairs of 3-pyca ligands), resulting in the same dia net topology as observed in our compounds; Interestingly, two different 3D networks with similar motifs have been obtained from 3-pyca and and Ni(II): one is a 6-connected sni net (Schläfli symbol: 4 11 .6 4 ) [55,56], in which each motif is connected to six others by two double linkers (i.e., four pairwise nicotinate ligands) and four single linkers (i.e., the other four nicotinate ligands) [47]; the other one is a 5-connected noz net (Schläfli symbol: 4 4 .6 6 ) [55,56], in which each motif is connected to five others by three double linkers (i.e., six pairwise nicotinate ligands) and two single linkers [26,27]. The different 4-, 5-, and 6-connected nets arise from the flexible orientations of the ligands with monodentate carboxylate groups.…”

Section: Description Of the Structuresmentioning

confidence: 71%

Three-dimensional iron-series coordination networks based on antiferromagnetic and ferromagnetic dinuclear motifs with mixed carboxylate and aqua bridges

Zhang

Jing

Gao

2011

Inorganica Chimica Acta

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Section: Description Of the Structuresmentioning

confidence: 71%

Three-dimensional iron-series coordination networks based on antiferromagnetic and ferromagnetic dinuclear motifs with mixed carboxylate and aqua bridges

Zhang

Jing

Gao

2011

Inorganica Chimica Acta

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“…Structural diagrams and structural analysis were carried out using Mercury v. 3.3 [36,37] and TOPOS [38]. SQUEEZE [39] )) and is consistent with the C 2 -symmetric structure shown in Scheme 2.…”

Section: Crystallographymentioning

confidence: 99%

Engineering 2D→2D parallel interpenetration using long alkoxy-chain substituents

et al. 2015

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“…To the best of our knowledge, this topology is new. 19 Thermogravimetric studies unveiled an unusual thermal stability for 1 and 2 among the MOF family. Indeed, coordinated water molecules and most likely a partial dehydration of the coordinated Hpbp 3-ligand occurs only after ca.…”

mentioning

confidence: 99%

Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate

Shi

Trindade

Rocha

et al. 2008

Crystal Growth & Design

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A synthetic approach combining hydrothermal and ionothermal (eutectic mixture of choline chloride and malonic acid) procedures is proposed that allowed the isolation of the first lanthanide-organic frameworks with residues of 1,4-phenylenebis(methylene)-diphosphonic acid (H 4 pmd), [Ln(Hpmd)(H 2 O)] (where Ln 3+ ) Ce 3+ and Pr 3+ ), exhibiting an unprecedented trinodal topology with 3-and 8-connected nodes. The structural details were unveiled from single-crystal X-ray diffraction and the materials were characterized using standard techniques.Metal-organic frameworks (MOFs) are an attractive class of materials that has received a considerable amount of worldwide attention over the last two decades. 1 This surge has been primarily motivated by their intriguing structural architectures 2 and, more recently, from their potential applications. 3 Remarkably, the most widely employed synthetic strategy is the solvo(hydro)thermal method inherited from zeolite chemistry. More recently, ionothermal synthesis has been used with great success to isolate novel MOFs or coordination complexes, 4-6 zeolites 7 and nanomaterials. 8 Depending on the choice of ionic liquids (ILs) different materials can be isolated and, to date, 1-ethyl-3-methyl imidazolium bromide (EMIm-Br) is the most commonly employed IL solvent and structure-directing agent (SDA). 4 However, the corresponding cation is usually included in the final product to balance the crystal charge and its removal usually implies a destruction of the framework. Following our interest in the synthesis and structural characterization of MOFs, 9 in particular those with lanthanides, here we wish to describe a simple and effective method that combines hydrothermal and ionothermal synthetic concepts (hydro-ionothermal synthesis, HI): eutectic mixtures of choline chloride and malonic acid (CM, melting point 10°C) 10 having a small amount of intentionally added distilled water were used as the solvent media in the reaction of lanthanide ions with a bisphosphonic acid source. CM mixtures have been profitably used in the preparation of a number of d-block oxalophosphates and oxalo-phosphonates, 6 but their use with lanthanides and flexible chelating ligands is unknown to date.The reaction between tetraethyl-p-xylylenebisphos-phonate (texbp) and LnCl 3 · 6H 2 O (Ln 3+ ) Ce 3+ and Pr 3+ ) in preprepared homogeneous eutectic mixtures of CM, 11 led to the isolation of phase-pure crystalline materials which were formulated as [Ln(Hpmd)(H 2 O)] (where Ln 3+ ) Ce 3+ for 1 and Pr 3+ for 2; H 4 pmd ) 1,4-phenylenebis(methylene)diphosphonic acid, see Scheme 1) on the basis of single-crystal X-ray diffraction studies 12 and CHN elemental composition studies in combination with EDS data. Even though a handful of frameworks with d-and p-block elements and H 4-x pbp -x residues have been reported, 13-16 the compounds described here constitute the first examples of framework materials with this ligand coordinated to lanthanide centers. The bulk materials are highly crystalline even tho...

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Topos: Program package for topological analysis of crystal structures

Cited by 87 publications

References 3 publications

Three-dimensional iron-series coordination networks based on antiferromagnetic and ferromagnetic dinuclear motifs with mixed carboxylate and aqua bridges

Three-dimensional iron-series coordination networks based on antiferromagnetic and ferromagnetic dinuclear motifs with mixed carboxylate and aqua bridges

Engineering 2D→2D parallel interpenetration using long alkoxy-chain substituents

Hydro-Ionothermal Synthesis of Lanthanide-Organic Frameworks with 1,4-Phenylenebis(methylene)diphosphonate

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