80 research outputs found
Bis(2,2′-bipyridyl)bromidocopper(II) bromide bromoacetic acid hemihydrate
In the title compound, [CuBr(C10H8N2)2]Br·BrCH2COOH·0.5H2O, the CuII ion is coordinated by four N atoms [Cu—N = 1.985 (6)–2.125 (7) Å] from two 2,2′-bipyridine ligand molecules and a bromide anion [Cu—Br = 2.471 (2) Å] in a distorted trigonal-bipyramidal geometry. Short centroid–centroid distances [3.762 (5) and 3.867 (5) Å] between the aromatic rings of neighbouring cations suggest the existence of π–π interactions. Intermolecular O—H⋯Br hydrogen bonds and weak C—H⋯O and C—H⋯Br interactions consolidate the crystal packing
Bis(3,4-dimethoxybenzoato-κ2 O,O′)(1,10-phenanthroline-κ2 N,N′)copper(II)
The asymmetric unit of the title compound, [Cu(C9H9O4)2(C12H8N2)], contains one half-molecule, the complete molecule being generated by a twofold rotation axis. The CuII atom exhibits a six-coordinated distorted octahedral geometry with two N atoms from the phenanthroline ligand [Cu—N 2.007 (2) Å] and four O atoms from two 3,4-dimethoxybenzoate ligands [Cu—O 1.950 (1) and 2.524 (1) Å]. The difference in Cu—O bond distances indicates a strong Jahn–Teller effect. In the crystal, C—H⋯π interactions result in chains of molecules along the c axis
Bis(2-bromoacetato-κ2 O,O′)(1,10-phenanthroline-κ2 N,N′)copper(II)
The two halves of the title compound, [Cu(C2H2BrO2)2(C12H8N2)], are related by twofold symmetry along the b axis through the central CuII ion. The CuII ion is coordinated by two symmetry-related N atoms from the 1,10-phenanthroline ligand and four O atoms from two 2-bromoacetate ligands, showing a distorted octahedral geometry. Weak intermolecular C—H⋯O interactions link neighbouring molecules
Aquabis(2-iodoacetato-κO)(1,10-phenanthroline-κ2 N,N′)copper(II)
In the title compound, [Cu(C2H2IO2)2(C12H8N2)(H2O)], the CuII ion is coordinated by two N atoms [Cu—N = 2.013 (4) and 2.024 (4) Å] from a 1,10-phenanthroline ligand and three O atoms [Cu—O = 1.940 (4)–2.261 (4) Å] from two carboxyl ligands and a water molecule in a distorted square-pyramidal geometry. One iodoacetate O atom [Cu—O = 2.775 (4) Å] completes the coordination to form a distorted octahedron. Intermolecular O—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers, which are further packed by π–π interactions between the 1,10-phenanthroline ligands into layers parallel to the ab plane. The crystal packing also exhibits short intermolecular I⋯I contacts of 3.6772 (9) Å and weak C—H⋯O hydrogen bonds
A Tensor-Based Framework for Studying Eigenvector Multicentrality in Multilayer Networks
Centrality is widely recognized as one of the most critical measures to
provide insight in the structure and function of complex networks. While
various centrality measures have been proposed for single-layer networks, a
general framework for studying centrality in multilayer networks (i.e.,
multicentrality) is still lacking. In this study, a tensor-based framework is
introduced to study eigenvector multicentrality, which enables the
quantification of the impact of interlayer influence on multicentrality,
providing a systematic way to describe how multicentrality propagates across
different layers. This framework can leverage prior knowledge about the
interplay among layers to better characterize multicentrality for varying
scenarios. Two interesting cases are presented to illustrate how to model
multilayer influence by choosing appropriate functions of interlayer influence
and design algorithms to calculate eigenvector multicentrality. This framework
is applied to analyze several empirical multilayer networks, and the results
corroborate that it can quantify the influence among layers and multicentrality
of nodes effectively.Comment: 57 pages, 10 figure
Triaquachlorido(1,10-phenanthroline-κ2 N,N′)cobalt(II) chloride monohydrate
In the title compound, [CoCl(C12H8N2)(H2O)3]Cl·H2O, the CoII ion is coordinated by two N atoms from the 1,10-phenanthroline ligand [Co—N = 2.125 (6) and 2.146 (6) Å], one chloride ligand [Co—Cl = 2.459 (2)Å] and three water molecules [Co—O = 2.070 (5)–2.105 (5)Å] in a distorted octahedral geometry. Intermolecular O—H⋯Cl and O—H⋯O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing
Bis(2,2′-bipyridyl-κ2 N,N′)(nitrato-κ2 O,O′)(trifluoroacetato-κO)cadmium(II)
In the title complex, [Cd(C2F3O2)(NO3)(C10H8N2)2], the Cd(II) ion is heptacoordinated by two chelating 2,2′-bipyridyl ligands [Cd⋯N 2.370 (6)–2.416 (6) Å], one carboxylate O atom [Cd⋯O 2.290 (6) Å] from the trifluoroacetate ligand and two O atoms [Cd⋯O 2.386 (6), 2.633 (6) Å] from a chelating nitrate anion. The trifluoromethyl fragment is rotationally disordered between two orientations in a 0.640 (7):0.360 (7) ratio. In the crystal, weak intermolecular C—H⋯O hydrogen bonds contribute to the crystal packing stability
Aquabis(dichloroacetato-κO)(1,10-phenanthroline-κ2 N,N′)copper(II)
In the title complex, [Cu(C2HCl2O2)2(C12H8N2)(H2O)], the CuII ion has a distorted square-pyramidal coordination geometry. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu—N = 1.994 (3) and 2.027 (3) Å] and two O atoms from dichloroacetate ligands and a water molecule [Cu—O = 1.971 (2) and 1.939 (2) Å]. One O atom from another dichloroacetate ligand occupies the apical positon [Cu—O = 2.152 (3) Å]. Intermolecular O—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers. The crystal packing also exhibits weak intermolecular C—H⋯O hydrogen bonds, π–π interactions [centroid–centroid distance = 3.734 (2) Å] and short intermolecular Cl⋯Cl contacts [3.306 (2) and 3.278 (2) Å]
Aqua(furan-2-carboxylato-κO)(furan-2-carboxylato-κ2 O,O′)(1,10-phenanthroline-κ2 N,N′)copper(II) methanol hemisolvate
The asymmetric unit of the title compound, [Cu(C5H3O3)2(C12H8N2)2(H2O)]·0.5CH3OH, contains two CuII complex molecules and one methanol solvent molecule with the metal centres in strongly distorted octahedral coordination. The coordinated water molecule is involved in intermolecular O—H⋯O hydrogen bonding, which links the complex molecules into chains propagating along the c axis. Neighbouring chains interact further via π–π interactions between the aromatic rings of 1,10-phenanthroline fragments [centroid–centroid distances = 3.726 (4) and 3.750 (4) Å]
Aquabis(2-chloroacetato-κO)(1,10-phenanthroline-κ2 N,N′)copper(II)
In the title complex, [Cu(C2H2ClO2)2(C12H8N2)(H2O)], the CuII ion is five-coordinated by two N atoms [Cu—N = 2.005 (2) and 2.029 (2) Å] from the 1,10-phenanthroline ligand, two O atoms [Cu—O = 1.943 (2)–1.966 (2) Å] from two 2-chloroacetate ligands and one water molecule [Cu—O = 2.253 (2) Å] in a distorted square-pyramidal geometry. The crystal structure exhibits intermolecular O—H⋯O hydrogen bonds, short Cl⋯Cl contacts [3.334 (1) Å] and π–π interactions [centroid–centroid distance 3.621 (11) Å]
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