scholarly journals Crystal structure of a TbIII–CuII glycinehydroxamate 15-metallacrown-5 sulfate complex

2021 ◽  
Vol 77 (12) ◽  
pp. 1-0
Author(s):  
Anna V. Pavlishchuk ◽  
Inna V. Vasylenko ◽  
Matthias Zeller ◽  
Anthony W. Addison
Keyword(s):  
Positive Charge ◽  
Title Complex ◽  
Water Molecules ◽  
Inversion Center ◽  
Coordination Environment ◽  
Sulfate Anion ◽  
The Core ◽  
Square Planar ◽  
Coordinated Water ◽  
Oxygen Atoms

The core of the title complex, bis[hexaaquahemiaquapentakis(μ3-glycinehydroxamato)sulfatopentacopper(II)terbium(III)] sulfate hexahydrate, [TbCu5(SO4)(GlyHA)5(H2O)6.5]2(SO4)·6H2O (1), which belongs to the 15-metallacrown-5 family, consists of five glycinehydroxamate dianions (GlyHA2−; C2H4N2O2) and five copper(II) ions linked together forming a metallamacrocyclic moiety. The terbium(III) ion is connected to the centre of the metallamacrocycle through five hydroxamate oxygen atoms. The coordination environment of the Tb3+ ion is completed to an octacoordination level by oxygen atoms of a bidentate sulfate and an apically coordinated water molecule, while the copper(II) atoms are square-planar, penta- or hexacoordinate due to the apical coordination of water molecules. Continuous shape calculations indicate that the coordination polyhedron of the Tb3+ ion in 1 is best described as square antiprismatic. The positive charge of each pair of [TbCu5(GlyHA)5(H2O)6.5(SO4)]2 2+ fragments is compensated by a non-coordinated sulfate anion, which is located on an inversion center with 1:1 disordered oxygen atoms. Complex 1 is isomorphous with the previously reported compounds [LnCu5(GlyHA)5(SO4)(H2O)6.5]2(SO4), where Ln III = Pr, Nd, Sm, Eu, Gd, Dy and Ho.

scholarly journals Diaquabis(2-iodobenzoato-κO)bis(nicotinamide-κN1)cobalt(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m521-m522 ◽  
Author(s):  
Ömür Aydın ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Carboxylate Group ◽  
Inversion Center ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title complex, [Co(C7H4IO2)2(C6H6N2O)2(H2O)2], the CoIIcation is located on an inversion center and is coordinated by two monodentate 2-iodobenzoate (IB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 22.3 (3)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 84.59 (13)°. Intramolecular O—H...O hydrogen bonding occurs between the carboxylate group and coordinated water molecule. In the crystal, N—H...O, O—H...O and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular network.

scholarly journals catena-Poly[[diaqua(1H-imidazo[4,5-f][1,10]phenanthroline)cobalt(II)]-μ-sulfato]

2009 ◽  
Vol 65 (6) ◽  
pp. m618-m618 ◽  
Author(s):  
Jian Yu
Keyword(s):  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Coordination Environment ◽  
One Dimensional ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Coordinated Water ◽  
Distorted Octahedral Coordination Environment

The CoIIion in the title complex, [Co(SO4)(C13H8N4)(H2O)2]n, has a slightly distorted octahedral coordination environment formed by two O atoms from two symmetry-related bridging sulfate ligands, two N atoms from a bis-chelating 1H-imidazo[4,5-f][1,10]phenanthroline (IPL) ligand and two O atoms from coordinated water molecules. The bridging sulfate ligands connect CoIIions to form a one-dimensional chain along theb-axis direction. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the chains into a three-dimensional network.

A Rare Example of a Dinuclear Cobalt(II) Complex with Dipicolinate and Bridging 2-Aminopyrazine Ligands. Preparation, Structural, Spectroscopic and Thermal Characterization

2011 ◽  
Vol 66 (8) ◽  
pp. 813-818 ◽  
Author(s):  
Masoumeh Tabatabaee ◽  
Boris-Marko Kukovec ◽  
Vajieh Razavimahmoudabadi
Keyword(s):  
Dipicolinic Acid ◽  
3D Structure ◽  
Thermal Characterization ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Coordination Environment ◽  
Distorted Octahedral ◽  
Elemental Analyses ◽  
Coordinated Water ◽  
Oxygen Atoms

A dinuclear cobalt(II) complex, [Co2(H2O)4(dipic)2(μ-apyz)] (dipicH2 = pyridine-2,6-dicarboxylic (dipicolinic) acid, apyz = 2-aminopyrazine) (1), has been hydrothermally synthesized and characterized by elemental analyses, spectroscopic methods (IR, UV/Vis), thermal analysis as well as by X-ray diffraction studies. The dinuclear complex is composed of two cobalt(II) ions bridged by a 2-aminopyrazine molecule. Each cobalt(II) ion is coordinated by one nitrogen and two oxygen atoms of the tridentate dipicolinate anion, one heterocyclic nitrogen atom of the 2-aminopyrazine and two oxygen atoms of coordinated water molecules. The resulting geometry for the CoN2O4 coordination environment can be described as distorted octahedral. Various hydrogen bonds of the type O-H···O and N-H···O are also present in the crystal structure. This arrangement leads to the formation of a 3D structure.

scholarly journals Crystal structure of poly[[diaquatetra-μ2-cyanido-iron(II)platinum(II)] acetone disolvate]

2019 ◽  
Vol 75 (10) ◽  
pp. 1536-1539
Author(s):  
Iryna S. Kuzevanova ◽  
Dina D. Naumova ◽  
Kateryna V. Terebilenko ◽  
Sergiu Shova ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Two Dimensional ◽  
Polymeric Complex ◽  
Guest Molecules ◽  
Coordination Environment ◽  
Square Planar ◽  
Coordinated Water

In the title polymeric complex, {[FePt(CN)4(H2O)2]·2C3H6O} n , the FeII cation has an octahedral [FeN4O2] geometry being coordinated by two water molecules and four cyanide anions. The Pt cation is located on an inversion centre and has a square-planar coordination environment formed by four cyanide groups. The tetracyanoplatinate anions bridge the FeII cations to form infinite two-dimensional layers that propagate in the bc plane. Two guest molecules of acetone per FeII are located between the layers. These guest acetone molecules interact with the coordinated water molecules by O—H...O hydrogen bonds.

Poly[[bis[pentaaquagadolinium(III)]-μ4-benzene-1,2,3,4,5,6-hexacarboxylato] tetrahydrate]

2006 ◽  
Vol 62 (4) ◽  
pp. m914-m915 ◽  
Author(s):  
Zhi-Feng Li ◽  
Chun-Xiang Wang ◽  
Ping Wang ◽  
Qing-Hua Zhang
Keyword(s):  
Title Compound ◽  
Center Of Mass ◽  
Water Molecules ◽  
Inversion Center ◽  
Coordination Environment

The title compound, {[Gd2(C12O12)(H2O)10]·4H2O} n , consists of an extended network of Gd ions coordinated by the mellitate anions and water molecules. In this complex, each Gd atom involves a dodecahedral coordination environment comprising five water molecules and three O atoms from two separate mellitate anions. The center of mass of the hexaanion [C6(COO)6]6− coincides with a crystallographic inversion center.

scholarly journals Synthesis and crystal structure of [Pd{C6H4(CH2NHCH2Ph)-2-κ2C,N}(μ-I)]2

2017 ◽  
Vol 73 (11) ◽  
pp. 1612-1615
Author(s):  
Delia Bautista ◽  
Sergio J. Benitez-Benitez
Keyword(s):  
Crystal Structure ◽  
Significant Influence ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Synthesis And Crystal Structure ◽  
Square Planar ◽  
Intermolecular Contacts ◽  
Type C ◽  
Methyl Phenyl

The binuclear title complex, di-μ-iodido-bis({2-[(benzylamino-κN)methyl]phenyl-κC1}palladium(II)), [Pd2I2(C14H14N)2], was prepared by reaction of [Pd{C6H4(CH2NHCH2Ph)-2}(μ-OAc)]2with NaI. It crystallizes with one discrete molecule in the asymmetric unit. The molecule presents an iodide-bridged dimeric structure with acisoidarrangement with respect to theC,N-cyclopalladated ligands. Both PdIIatoms have a slightly distorted square-planar coordination environment. Weak intermolecular contacts of the type C—H...Pd seem to have a significant influence on the arrangement of the molecules along thebaxis in the crystal.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II)

2017 ◽  
Vol 73 (9) ◽  
pp. 1302-1304 ◽  
Author(s):  
Hicham El Hamdani ◽  
Mohammed El Amane ◽  
Carine Duhayon
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Distorted Octahedral Coordination Environment

The title complex, [Co(C7H7N4O2)2(H2O)4], comprises mononuclear molecules consisting of a CoIIion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and four coordinating water molecules. The CoIIatom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of twotrans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

scholarly journals Diaquabis{4-[(pyridin-2-yl)methylideneamino]benzenesulfonato-κ2 N,N′}nickel(II) tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m809-m810 ◽  
Author(s):  
Chao-Zhu Li ◽  
Xue-Ren Huang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Framework Structure ◽  
Distorted Octahedral Environment ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title complex, [Ni(C12H9N2O3S)2(H2O)2]·4H2O, the NiII ion is coordinated by four N atoms from two bidentate chelating 4-[(pyridin-2-yl)methylideneamino]benzenesulfonate ligands and two O atoms from cis-related water molecules in a slightly distorted octahedral environment [Ni—N = 2.071 (3)–2.121 (3) Å and Ni—O = 2.071 (2) and 2.073 (3) Å]. In the crystal, the coordinated water molecules and the four water molecules of solvation are involved in intermolecular O—H...O hydrogen-bonding interactions with water and sulfonate O-atom acceptors, giving a three-dimensional framework structure.

Structural Systematics of 2/4-Nitrophenoxide Complexes of Closed-Shell Metal Ions. VI 4-Nitrophenoxides of Group 2

1998 ◽  
Vol 51 (8) ◽  
pp. 775 ◽  
Author(s):  
Jack M. Harrowfield ◽  
Raj Pal Sharma ◽  
Brian W. Skelton ◽  
Paloth Venugopalam ◽  
Allan H. White
Keyword(s):  
Metal Ions ◽  
Closed Shell ◽  
Water Molecules ◽  
One Dimensional ◽  
Phenolic Oxygen ◽  
C 23 ◽  
Structure Determinations ◽  
Group 2 ◽  
Coordinated Water ◽  
Oxygen Atoms

Room-temperature single-crystal X-ray structure determinations are recorded for 4-nitrophenolate (4-np-) salts of Group 2 metal ions, variously hydrated, M(4-np)2.xH2O, M = Mg, Ca, Sr, Ba. Mg(4-np)2.8H2 O is monoclinic, P21/c, a 12·402(3), b 6·673(7), c 11·833(6) Å, β 93·70(3)°, Z = 2; conventional R on |F| was 0·041 for No 1995 independent ‘observed’ (I > 3σ(I)) reflections. Ca(4-np)2.4H2O is monoclinic, P21/c, a 13·109(8), b 3·644(1), c 21·181(8) Å, β 125·55(3)°, Z= 2, R 0·050 for No 1371. Sr(4-np)2.8H2O is monoclinic, P21/n, a 7·934(1), b 10·658(1), c 23·602(2) Å, β 91·36(1)°, Z = 4, R 0·038 for No 2050. Ba(4-np)2.8H2O is monoclinic P21/c, a 15·990(8), b 6·337(3), c 25·634(8) Å, β 126·1(3)°, Z = 4, R 0·021 for No 3115. The magnesium salt is ionic with [Mg(OH2)6]2+ cations and interleaved anion stacks up b. The calcium salt is a one-dimensional polymer with ... Ca(µ-O)2Ca(µ-O)2Ca ... spine, the bridges being phenolic oxygen atoms.trans-Coordinated water molecules make up six-coordination about the calcium, the anion planes stacking at the b spacing. The strontium adduct is also a one-dimensional polymer with a similar spine, but with water molecule oxygen atoms bridging, the nine-coordinate strontium environment being made up by a chelating nitro group and three unidentate water molecules. Coordinated anions stacked up a are interleaved by free anions. The barium salt is simply [Ba(4-np)(OH2)8]+ (4-np-), the ligand anion (semi)chelated through the nitro pair of oxygen atoms, again with interleaving anion/ligand stacking.

Solid-state structure and antimicrobial and cytotoxicity studies of a cucurbit[6]uril-like Cu6 L 4 constructed from 3,5-bis[(1H-tetrazol-5-yl)methyl]-4H-1,2,4-triazol-4-amine

2018 ◽  
Vol 74 (11) ◽  
pp. 1413-1419
Author(s):  
Serhii Vasylevskyi ◽  
Anja Holzheu ◽  
Katharina M. Fromm
Keyword(s):  
Solid State ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
State Structure ◽  
Sulfate Anion ◽  
E Coli ◽  
Cytotoxicity Studies ◽  
Distorted Octahedral ◽  
Sulfate Hydrate ◽  
Coordinated Water

3,5-Bis[(1H-tetrazol-5-yl)methyl]-4H-1,2,4-triazol-4-amine (H2 L) associates under deprotonation with CuSO4 in aqueous medium to form a new waisted barrel-shaped M 6 L 4 cluster, namely hexaaquatetrakis{μ4-3,5-bis[(1H-tetrazol-5-yl)methyl]-4H-1,2,4-triazol-4-amine}-μ4-sulfato-hexacopper(II) sulfate hydrate, [Cu6(SO4)(C6H6N12)4(H2O)6]SO4·nH2O (n = ∼23) (1). Cluster 1 resembles concave cucurbit[6]uril and has one disordered sulfate anion trapped inside the cage, which additionally stabilizes the Cu6 unit. The CuII ions have either a square-pyramidal or a distorted octahedral geometry. The equatorial positions are filled by N atoms from the L 2− ligand, while the axial positions are occupied by coordinated water molecules and O atoms of the sulfate counter-ion. In the solid state, the Cu6 clusters are connected through a large number of hydrogen bonds formed by uncoordinated water molecules and an additional sulfate anion. The compound shows good antimicrobial activity against E. coli tested with the Kirby Bauer approach. In addition, the cell viability towards HeLa and L-929 cells was studied.

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