Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mahesha ◽  
K. J. Pampa ◽  
C. S. Karthik ◽  
M. K. Hema ◽  
P. Mallu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Sphere ◽  
Structural Transformations ◽  
Supramolecular Assemblies ◽  
Metal Coordination ◽  
Computational Studies ◽  
Molecular Topology

Solvent-induced structural transformations on the metal coordination sphere in homoleptic (1 and 2) and heteroleptic (3 and 4) Cu(ii) complexes were analyzed and investigated by crystallographic and quantum computational studies.

Stimuli-Responsive Luminescent Supramolecular Assemblies and Co-assemblies by Orthogonal Dipole-Dipole Interaction and Halogen Bonding

2021 ◽  
Author(s):  
Akshoy Jamadar ◽  
Ajeet Kumar Singh ◽  
Lisa Roy ◽  
Anindita Das
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Analysis ◽  
Halogen Bonding ◽  
Dipole Interaction ◽  
Crystal Structure Analysis ◽  
Supramolecular Assemblies ◽  
Single Crystal Structure ◽  
Stimuli Responsive ◽  
Single Crystal Structure Analysis

This article reports π-chromophore assemblies from three structurally related dipolar naphthalene monoimide (NMI) luminogens (M1, M2 and M3) by underexplored orthogonal dipole-dipole interaction and halogen bonding. Single crystal structure analysis...

X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH4)4, and Computational Studies of An(BH4)4 (An = Th, U)

2021 ◽  
Author(s):  
Andrew C. Dunbar ◽  
Joseph C. Wright ◽  
Daniel J. Grant ◽  
Gregory S. Girolami
Keyword(s):  
Crystal Structure ◽  
Computational Studies ◽  
X Ray

scholarly journals Caesium tetramethylammonium dodecahydrido-closo-dodecaborate monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Thomas Schleid
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Coordination Sphere ◽  
Three Dimensional ◽  
Double Salt ◽  
Asymmetric Unit ◽  
Dihydrogen Bonds ◽  
Dimensional Network

In the crystal structure of the hydrated double salt, Cs+·[N(CH3)4]+·[B12H12]2−·H2O, the asymmetric unit contains one caesium and one tetramethylammonium cation, one dodecahydrido-closo-dodecaborate anion and one water molecule. The Cs+cation is coordinated tetrahedrally by four [B12H12]2−clusters, with the water molecule completing the coordination sphere. The tetramethylammonium cation is surrounded distorted octahedrally by six [B12H12]2−anions. The crystal structure is stabilized by a three-dimensional network of O—H...H—B and C—H...H—B dihydrogen bonds.

scholarly journals Crystal structure of bis(μ2-4-tert-butyl-2-formylphenolato)-1:2κ3O1,O2:O1;3:4κ3O1,O2:O1-bis(4-tert-butyl-2-formylphenolato)-2κ2O1,O2;4κ2O1,O2-di-μ3-methoxido-1:2:3κ3O;1:3:4κ3O-di-μ2-methoxido-1:4κ2O;2:3κ2O-tetracopper(II)

2015 ◽  
Vol 71 (3) ◽  
pp. 324-326
Author(s):  
Bernhard Eberhard Christian Bugenhagen ◽  
Marc Heinrich Prosenc
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Title Compound ◽  
Coordination Environment ◽  
Dinuclear Copper ◽  
Tert Butyl ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The structure of the title compound, [Cu4(CH3O)4(C11H13O2)4], consists of dimeric dinuclear copper(II) complexes oriented around a centre of inversion. Within each dinuclear fragment, the two CuIIatoms are in a distorted square-planar coordination sphere. Two neighbouring fragments are linked by four apical Cu—O contacts, yielding an overall square-pyramidal coordination environment for each of the four CuIIatoms. The molecules are arranged in layers parallel to (101). Non-classical C—H...O hydrogen-bonding interactions are observed between the layers.

Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: EA[C6(NO2)2O4] · H2O (EA = Ca, Sr)/ Complexes with Substituted 2,5-D ihydroxy-p-benzoquinones: EA [C6(NO2)2O4] · 4H2O(EA = Ca, Sr)

1987 ◽  
Vol 42 (8) ◽  
pp. 972-976 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Single Crystals ◽  
Coordination Sphere ◽  
Trigonal Prism ◽  
Water Molecules ◽  
Additional Water ◽  
Oxygen Atoms

AbstractSingle crystals of EA[Q(NO2)2O4] · 4H2O (EA = Ca. Sr) were grown in aqueous silicagel. Ca2+ has CN 8. It is surrounded by 4 oxygen atoms of two bis-chelating [C6(NO2)2O4]2- ions and 4 water molecules, which form a distorted, bi-capped trigonal prism. Sr2+ is coordinated similarly, with an additional water molecule joining the coordination sphere to yield CN 8+1. Corrugated chains extending along [010] and consisting of EA2+ and nitranilate ions are the main feature of the crystal structure. Adjacent chains are interlinked by hydrogen bonds.

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