Network Topology

and, Frank Hoffmann; Fröba, Michael

doi:10.1002/9783527693078.ch2

Cited by 10 publications

(4 citation statements)

References 79 publications

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“…They generally have just one kind of link (in the jargon edge-transitive nets), , and those relevant to MOF structures have been systematically derived and described . Derived nets are obtained from basic nets by splitting vertices into groups of vertices of lower coordinationfor example, tetrahedrally coordinated vertices into a pair of triangularly coordinated vertices. ,,,, …”

Section: Resultsmentioning

confidence: 99%

Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases

Bonneau

O’Keeffe

Proserpio

et al. 2018

Crystal Growth & Design

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This communication briefly reviews why network topology is an important tool (for understanding, comparing, communicating, designing, and solving crystal structures from powder diffraction data) and then discusses the terms of an IUPAC project dealing with various aspects of network topology. One is the ambiguity in node assignment, and this question is addressed in more detail. First, we define the most important approaches: the “all node” deconstruction considering all branch points of the linkers, the “single node” deconstruction considering only components mixed, and the ToposPro “standard representation” also considering linkers as one node but, if present, takes each metal atom as a separate node. These methods are applied to a number of metal–organic framework structures (MOFs, although this is just one example of materials this method is applicable on), and it is concluded that the “all node” method potentially yields more information on the structure in question but cannot be recommended as the only way of reporting the network topology. In addition, several terms needing definitions are discussed.

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Section: Resultsmentioning

confidence: 99%

Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases

Bonneau

O’Keeffe

Proserpio

et al. 2018

Crystal Growth & Design

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“…Even if the structural description of a rod MOF is still rather subjective, , further insights into the structure of 2 can be gained by reducing multidimensional structures to simple rod geometries and associated underlying nets. ,, As shown in Figure , the [Cu II ( R )-pegma] – chains, constituting the rod-shaped SBUs, are already connected, as in 1 , to construct a 3 1 helix. As is known, the two ways to link 3-fold helices with one kind of vertex consist of either self-assembling of helices of the same hand to give eta nets or of a different hand to give etb nets. ,, In 2 , helices with structure as in 1 , all right-handed, are then linked linearly by [Ni(cyclam)] 2+ cationic complexes to generate a rare eta net (Figure and Figure S3 in the Supporting Information), which is the expected net, dependent on the rational approach we used to build an enantiopure rod-base MOF.…”

Section: Resultsmentioning

confidence: 99%

Rational Synthesis of Chiral Metal–Organic Frameworks from Preformed Rodlike Secondary Building Units

Grancha

Julve

et al. 2017

Inorg. Chem.

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The lack of rational design methodologies to obtain chiral rod-based MOFs is a current synthetic limitation that hampers further expansion of MOF chemistry. Here we report a metalloligand design strategy consisting of the use, for the first time, of preformed 1D rodlike SBUs (1) for the rational preparation of a chiral 3D MOF (2) exhibiting a rare eta net topology. The encoded chiral information on the enantiopure ligand is efficiently transmitted first to the preformed helical 1D building block and, in a second stage, to the resulting chiral 3D MOF. These results open new routes for the rational design of chiral rod-based MOFs, expanding the scope of these unique porous materials.

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“…To better understand the frameworks of 1 – 3 , we have carried out a topological analysis by applying the concept of the simplified underlying net. − These analyses were performed using the computer program TOPOSPRO and checked against the Reticular Chemistry Structural Resource (RCSR) and EPINET databases. , …”

Section: Resultsmentioning

confidence: 99%

Structural Studies on a New Family of Chiral BioMOFs

Grancha

Mon

Ferrando-Soria

et al. 2016

Crystal Growth & Design

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The use of a family of dinuclear copper(II) complexes, prepared from enantiopure disubstituted oxamidato ligands derived from the natural amino acids l-alanine, l-valine, and l-leucine, as metalloligands toward barium(II) cations leads to the formation of three novel three-dimensional (3D) chiral metal–organic frameworks (MOFs). They exhibit different architectures, which serve as playground to study both how the chiral information contained in the starting enantiopure ligands is ultimately transmitted to the 3D structure and the effect of the size of the aliphatic residue of the amino acid on the final architecture.

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Network Topology

Cited by 10 publications

References 79 publications

Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases

Deconstruction of Crystalline Networks into Underlying Nets: Relevance for Terminology Guidelines and Crystallographic Databases

Rational Synthesis of Chiral Metal–Organic Frameworks from Preformed Rodlike Secondary Building Units

Structural Studies on a New Family of Chiral BioMOFs

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