scholarly journals Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)

2021 ◽  
Vol 77 (10) ◽  
Author(s):  
Linden H. Conrad-Marut ◽  
Eric W. Reinheimer ◽  
Adam R. Johnson
Keyword(s):  
Cobalt Atom ◽  
Sodium Cation ◽  
Chloride Ions ◽  
Ethylene Diamine ◽  
Distorted Octahedral Geometry ◽  
Site Symmetry ◽  
Threefold Axis ◽  
Cation Site ◽  
Distorted Octahedral ◽  
Single Water Molecule

The synthesis and crystal structure of the title racemic compound, [Co(C2H8N2)3]Cl3.{[Na(H2O)6]Cl}0.5, are reported. The trivalent cobalt atom, which resides on a crystallographic threefold axis, is chelated by a single ethylene diamine (en) ligand and yields the tris-chelate [Co(en)3]3+ cation with distorted octahedral geometry after the application of crystal symmetry. The sodium cation (site symmetry \overline{3}), has a single water molecule bound to it in the asymmetric unit and yields a distorted, octahedrally coordinated hydrated [Na(H2O)6]+ cation after the application of symmetry. One of the chloride ions lies on a general position and the other has \overline{3} site symmetry. An extensive array of C—H...O, N—H...Cl and O—H...Cl hydrogen bonds exists between the ethylene diamine ligands, the water molecules of hydration, and the anions present, thereby furnishing solid-state stability.

scholarly journals Thortveitite-type Tm2Si2O7

2014 ◽  
Vol 70 (7) ◽  
pp. i34-i35 ◽  
Author(s):  
Volker Kahlenberg ◽  
Paul Aichholzer
Keyword(s):  
Ambient Pressure ◽  
Point Group ◽  
Structure Type ◽  
Group Symmetry ◽  
Site Symmetry ◽  
Cation Site ◽  
Bond Lengths ◽  
Flux Synthesis ◽  
Distorted Octahedral ◽  
The Individual

Single crystals of dithulium disilicate, Tm2Si2O7, were obtained in flux synthesis experiments in the system SiO2–Tm2O3–LiF at ambient pressure. The compound belongs to the group of sorosilicates,i.e.it is based on [Si2O7]-units and crystallizes in the thortveitite (Sc2Si2O7) structure type. The Tm3+cation (site symmetry .2.) occupies a distorted octahedral site, with Tm—O bond lengths in the range 2.217 (4)–2.289 (4) Å. Each of the octahedra shares three of its edges with adjacent [TmO6] groups, resulting in the formation of layers parallel to (001). The individual [SiO4] tetrahedra are more regular,i.e.the differences between the bond lengths between Si and the bridging and non-bridging O atoms are not very pronounced. The layers containing the octahedra and the sheets containing the [Si2O7] groups (point group symmetry 2/m) form an alternating sequence. Linkage is provided by sharing common oxygen vertices.

scholarly journals fac-Triaqua(2,2′-bipyridine-κ2 N,N′)(nitrato-κO)cobalt(II) chloride

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Mouhamadou Birame Diop ◽  
Libasse Diop ◽  
Sylvain Bernès
Keyword(s):  
Complex Cation ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Chloride Anion ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Nitrate Anion ◽  
Asymmetric Unit ◽  
Distorted Octahedral

The asymmetric unit of the title complex, [Co(NO3)(C10H8N2)(H2O)3]Cl, consists of a chloride anion and a complex cation, which is built on a monodentate nitrate anion, three water molecules and one bidentate 2,2′-bipyridine molecule, coordinated to a CoII cation, in a distorted octahedral geometry. The water molecules are arranged in a facial geometry, and serve as donors for hydrogen bonding. Acceptor sites in the crystal are chloride ions and one O atom of the coordinating nitrate ion. A three-dimensional framework is formed, based on O—H...O and O—H...Cl contacts.

scholarly journals Crystal structure of [Cu(tmpen)](BF4)2{tmpen isN,N,N′,N′-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}

2017 ◽  
Vol 73 (4) ◽  
pp. 640-643
Author(s):  
Lin Chen ◽  
Yakun Guo ◽  
Gan Ren ◽  
Ge Sang
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Title Complex ◽  
Site Symmetry ◽  
Methyl Substituent ◽  
Cation Site ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Pyridine Group

The mononuclear copper title complex {N,N,N′,N′-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ6N}copper(II) bis(tetrafluoridoborate), [Cu(C30H36N6)](BF4)2, is conveniently prepared from the reaction of Cu(BF4)2·6H2O withN,N,N′,N′-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine (tmpen) in acetonitrile at room temperature in air. The complex shows a distorted octahedral environment around the CuIIcation (site symmetry 2) and adopts the centrosymmetric space groupC2/c. The presence of the 6-methyl substituent hinders the approach of the pyridine group to the CuIIcore. The bond lengths about the CuIIatom are significantly longer than those of analogues without the 6-methyl substituents.

Dichlorido(N,N′-dibenzylideneethane-1,2-diamine-κ2 N,N′)[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ2 O,O′]titanium(IV)

2007 ◽  
Vol 63 (11) ◽  
pp. m2842-m2843 ◽  
Author(s):  
Chien-An Chen ◽  
Liang-Ying Chiang ◽  
Han-Mou Gau
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Chloride Ions ◽  
Octahedral Geometry ◽  
Metal Center ◽  
Distorted Octahedral Geometry ◽  
Titanium Metal ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Chloride Ligands

The title compound, [TiCl2(C31H28O4)(C16H16N2)], is a titanium(IV) complex of the bidentate 2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolate (TADDOLate) ligand containing also two chloride ions and a bidentate neutral N,N′-dibenzylideneethane-1,2-diamine ligand. The molecular structure has a distorted octahedral geometry around the titanium metal center. The Ti—N bond lengths of 2.246 (2) and 2.2476 (17) Å are long, indicating weak bonding between the titanium(IV) metal center and the imine N atoms. Though the two chloride ligands are trans to each other, they bend away from the Ti–TADDOLate bonds with a Cl—Ti—Cl angle of 163.96 (3)°.

scholarly journals Ethylenediammonium sodium tetrakis[bis(ethylenediamine-κ2N,N′)(oxalato-κ2O1,O2)cobalt(III)] [pentahydrogen di(phosphatooctadecatungstate)] tetradecahydrate

2013 ◽  
Vol 69 (11) ◽  
pp. m605-m606
Author(s):  
Shuzhuo Zhang ◽  
Jing Wang ◽  
Yun Xu
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Sodium Cation ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Site Symmetry ◽  
Hydrothermal Conditions ◽  
Acta Cryst ◽  
Solvent Water ◽  
Distorted Octahedral

The title compound, Na(C2H10N2)[Co(C2O4)(C2H8N2)2]4[H5(P2W18O62)2]·14H2O, prepared under hydrothermal conditions, consists of two Dawson-type [P2W18O62]6−anions, four isolated [Co(en)2(ox)]+cations (en = ethylenediamine and ox = oxalate), one Na+cation, one [H2en]2+cation, and a number of ordered (14) and disordered solvent water molecules. The [P2W18O62]6−polyoxidometalate anion has site symmetry 1 and contains two structurally distinct types of W atoms:viz.six W atoms on vertical pseudo-mirror planes grouped in two sets of three, and 12 equatorial W atoms that do not lie in the pseudo-mirror planes grouped in two sets of six. In each [Co(en)2(ox)]+cation, the CoIIIion is coordinated by four N atoms from two en ligands and two O atoms from the ox ligands, completing a distorted octahedral structure. The sodium cation lies on an inversion centre and additionally links the complex cations and anions. In the crystal, the various units are linked by N—H...O and O—H...O hydrogen bonds, which together with C—H...O hydrogen bonds form a three-dimensional structure. The contribution of a region of disordered electron density, possibly highly disordered solvent water molecules, to the scattering was removed with the SQUEEZE option ofPLATON[Spek (2009).Acta Cryst.D65, 148–155]. To equilibrate the charges five H+ions have been added to the polyoxidometalate. These H+ions and the disordered solvent contribution were not included in the reported molecular weight and density.

Bis(1,10-phenanthroline-κ2 N,N′)(sulfato-κ2 O,O′)cadmium(II) 1,2-ethanediol solvate

2006 ◽  
Vol 62 (4) ◽  
pp. m891-m893 ◽  
Author(s):  
Wen-Jie Lu ◽  
Kai-Long Zhong ◽  
Yi-Min Zhu
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Site Symmetry ◽  
Formula Unit ◽  
Special Position ◽  
Distorted Octahedral ◽  
Phenanthroline Ligands

In the structure of the title compound, [Cd(SO4)(C12H8N2)2]·C2H6O2, the [Cd(SO4)(C12H8N2)2] and C2H6O2 entities are connected by hydrogen bonding. The formula unit lies on a special position of site symmetry 2. The CdII centre is coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from the bidentate sulfate ligand in a distorted octahedral geometry. The two chelating NCCN groups subtend a dihedral angle of 74.50 (9)°.

scholarly journals catena-Poly[(triaquazinc)-μ-furan-2,5-dicarboxylato-κ3O2:O2,O2′]

2012 ◽  
Vol 68 (4) ◽  
pp. m500-m500 ◽  
Author(s):  
Ya-Feng Li ◽  
Yue Gao ◽  
Yue Xu ◽  
Xiao-Lin Qin ◽  
Wen-Yuan Gao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Site Symmetry ◽  
Carboxylate Group ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the crystal structure of the title compound, [Zn(C6H2O5)(H2O)3]n, an infinite chain is formed along [001] by linking of the Zn(H2O)3entities with one carboxylate group of the furan-2,5-dicarboxylate ligand. Adjacent chains are linked by Owater—H...O hydrogen-bonding interactions. The Zn(H2O)3O3polyhedron displays a distorted octahedral geometry with one weak Zn—Ocarboxylatecoordination [2.433 (8) A°] and two water molecules located in axial positions. Except for one of the axial water molecules and two adjacent H atoms, the other atoms (including H atoms) possess site symmetrym.

scholarly journals 2-Amino-5-chloropyridinium cis-diaquadioxalatochromate(III) sesquihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m824-m825 ◽  
Author(s):  
Ichraf Chérif ◽  
Jawher Abdelhak ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Lattice Water ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Independent Lattice

In the crystal structure of the title compound, (C5H6ClN2)[Cr(C2O4)2(H2O)2]·1.5H2O, the CrIII atom adopts a distorted octahedral geometry being coordinated by two O atoms of two cis water molecules and four O atoms from two chelating oxalate dianions. The cis-diaquadioxalatochromate(III) anions, 2-amino-5-chloropyridinium cations and uncoordinated water molecules are linked into a three-dimensional supramolecular array by O—H...O and N—H...O hydrogen-bonding interactions. One of the two independent lattice water molecules is situated on a twofold rotation axis.

Synthesis, Characterisation and Structural Studies of [Zn(phen)3][Fe(CN)5(NO)]·2H2O·0.25MeOH and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)]·0.5H2O

2003 ◽  
Vol 58 (9) ◽  
pp. 916-921 ◽  
Author(s):  
Amitabha Datta ◽  
Samiran Mitra ◽  
Georgina Rosair
Keyword(s):  
Infrared Spectroscopy ◽  
Thermogravimetric Analysis ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Structural Studies ◽  
Crystal Lattices ◽  
X Ray ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Solvent Molecules

Two new bimetallic complexes [Zn(phen)3][Fe(CN)5(NO)] · 2 H2O · 0.25 MeOH, (1) and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)] · 0.5 H2O, (2), have been isolated (where phen = 1,10-phenanthroline and bipy = bipyridyl) and characterised by X-ray crystallography [as the 2 H2O · 0.25 CH3OH solvate for (1) and hemihydrate for (2)] infrared spectroscopy and thermogravimetric analysis. Substitution of phenanthroline for bipyridyl resulted in a cyano-bridged bimetallic species rather than two discrete mononuclear metal complexes. The bond angles of Fe-N-O were shown to be practically linear for both 1 [179.2(7)°] and 2 [178.3(3)°], and the Zn atoms have distorted octahedral geometry. The solvent molecules in both crystal lattices take part in forming hydrogen-bonded networks.

Structure cristalline et moléculaire du cis-dithiocyanatobis(phénanthroline-1,10)mercure(II), Hg(SCN)2(C12H8N2)2

1974 ◽  
Vol 52 (16) ◽  
pp. 2923-2927 ◽  
Author(s):  
André L. Beauchamp ◽  
Bernard Saperas ◽  
Roland Rivest
Keyword(s):  
Heavy Atom ◽  
Octahedral Geometry ◽  
Van Der Waals Interactions ◽  
Distorted Octahedral Geometry ◽  
Triclinic Space Group ◽  
Bond Lengths ◽  
R Factor ◽  
Distorted Octahedral ◽  
Phenanthroline Ligands ◽  
Heavy Atom Method

The compound cis-Hg(SCN)2(Phen)2 belongs to the triclinic space group [Formula: see text] with a = 13.252(5), b = 11.077(4), c = 8.443(3) Å, α = 105.20(3), β = 83.25 (3), γ = 90.92(3)°, and Z = 2. The structure was solved by the heavy atom method and refined on 1718 independent reflections to an R factor of 0.069. The crystal contains discrete molecules, in which mercury is coordinated to four nitrogen atoms from two phenanthroline molecules and to two sulfur atoms from thiocyanate groups. These donor atoms define a distorted octahedral geometry around mercury. The Hg—N bond lengths are in the range 2.42(2)–2.52(2) Å, whereas the Hg—S bonds are equal to 2.622(8) and 2.582(8) Å. The molecules are packed in layers parallel to the (110) planes and the layers are held together by normal van der Waals interactions. Within the layers, the packing of the complex is characterized by parallel stacking of phenanthroline ligands at distances of ∼3.4 Å. The terminal nitrogen atoms of the thiocyanate groups are uncoordinated.

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