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Crystal structure of hexa-aqua-dichlorido-ytterbium(III) chloride.

ABSTRACT: The crystal structure of the title compound, [YbCl2(H2O)6]Cl, was determined at 110?K. Samples were obtained from evaporated aceto-nitrile solutions containing the title compound, which consists of a [YbCl2(H2O)6](+) cation and a Cl(-) anion. The cations in the title compound sit on a twofold axis and form O-H?Cl hydrogen bonds with the nearby Cl(-) anion. The coordination geometry around the metal centre forms a distorted square anti-prism. The ytterbium complex is isotypic with the europium complex [Tambrornino et al. (2014 ?). Acta Cryst. E70, i27].

SUBMITTER: Knopf KM

PROVIDER: S-EPMC4459311 | biostudies-other | 2015 Jun

REPOSITORIES: biostudies-other

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Crystal structure of hexa-aqua-dichlorido-ytterbium(III) chloride.

Knopf Kevin M KM Crundwell Guy G Westcott Barry L BL

Acta crystallographica. Section E, Crystallographic communications 20150507 Pt 6

The crystal structure of the title compound, [YbCl2(H2O)6]Cl, was determined at 110 K. Samples were obtained from evaporated aceto-nitrile solutions containing the title compound, which consists of a [YbCl2(H2O)6](+) cation and a Cl(-) anion. The cations in the title compound sit on a twofold axis and form O-H⋯Cl hydrogen bonds with the nearby Cl(-) anion. The coordination geometry around the metal centre forms a distorted square anti-prism. The ytterbium complex is isotypic with the europium co ...[more]

PMID: 26090164

Similar Datasets

Aqua-bis-(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato)[4'-(4-pyrid-yl)-2,2':6',2''-terpyridine]-ytterbium(III) chloride methanol monosolvate monohydrate.

Project description:The title compound, [Yb(C(5)HF(6)O(2))(2)(C(20)H(14)N(4))(H(2)O)]Cl·CH(3)OH·H(2)O, adopts an eight-coordinated geometry around the Yb(III) atom consisting of a 4'-(4-pyrid-yl)-2,2':6',2''-terpyridine (pytpy) ligand, two 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate (hfac) anions and an aqua ligand. In the solid state, the compound forms supra-molecular chains running along the b-axis via inter-molecular hydrogen bonds between the Yb-OH(2) unit and the N-atom donor of the 4-pyridyl pendant of pytpy, with an O?N distance of 2.686?(4)?Å. A chloride counter-anion and lattice methanol and water solvent mol-ecules occupy a hydro-philic columnar space along the coordination chains. O-H?Cl hydrogen bonds occur. The two water molecules and the four trifluoromethyl groups are disordered over two sets of sites, each with different occupancy ratios.

| S-EPMC3254304 | biostudies-literature

Crystal structure of cis-tetra-aqua-dichlorido-cobalt(II) sulfolane disolvate.

Project description:In the title compound, [CoCl2(H2O)4]·2C4H8SO2, the Co(II) cation is located on the twofold rotation axis and is coordinated by four water mol-ecules and two adjacent chloride ligands in a slightly distorted octa-hedral coordination environment. The cisoid angles are in the range 83.27?(5)-99.66?(2)°. The three transoid angles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units along c formed by bifurcated O-H?Cl hydrogen bonds between two water mol-ecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent mol-ecules per complex are attached to this infinite chain via O-H?O hydrogen bonds in which water mol-ecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.

| S-EPMC4384590 | biostudies-literature

Tris[4-(dimethyl-amino)-pyridinium][(bis-?-dichlorido)-deca-aqua-dichlorido-dineodymium(III)] penta-chloride dihydrate.

Project description:The title compound, (C(7)H(11)N(2))(3)[Nd(2)Cl(4)(H(2)O)(10)]Cl(5)·2H(2)O, consists of three 4-(dimethyl-amino)-pyridinium cations, one of which is disordered about an inversion center, one [Nd(2)Cl(4)(H(2)O)(10)](2+) dication possessing inversion symmetry, five chloride anions, one of which is disordered over two inversion centers, and two lattice water mol-ecules. The 4-(dimethyl-amino)-pyridinium cations are protonated at the pyridine N atoms and form N-H?Cl hydrogen bonds with Cl(-) counter-ions. The dimethyl-amino groups (C/N/C) lie close to the plane of the pyridinium rings, making dihedral angles of 1.6?(6)° and 6.5?(3)°. In the crystal, the [Nd(2)Cl(4)(H(2)O)(10)](2+) dications are linked via O-H?O and O-H?Cl hydrogen bonds, forming sheets lying parallel to the bc plane. These sheets are linked via O-H?Cl hydrogen bonds, forming a three-dimensional network. The 4-(dimethyl-amino)-pyridinium cations are located in the cavities and linked to the framework by C-H?Cl interactions.

| S-EPMC3515105 | biostudies-other

Crystal structure of poly[[hexa-aqua-tris-(?-3,6-di-oxo-cyclo-hexa-1,4-diene-1,4-diolato)dierbium(III)] octa-deca-hydrate].

Project description:The title lanthanide complex, [Er2(C6H2O4)3(H2O)6]·18H2O, is isostructural with its La, Gd, Yb and Lu analogues. The Er3+ ion, located on a threefold rotation axis, is nine-coordinated in a distorted tricapped trigonal-prismatic geometry, which is completed by six oxygen atoms from three dhbq2- ligands and three oxygen atoms from coordinated water mol-ecules. Each dhbq2- ligand acts in a ?2-bis-(bidentate) bridging mode to connect two Er3+ ions to form honeycomb (6,3) two-dimensional sheets extending in the ab plane, having an Er?Er separation of 8.7261?(2)?Å. In the crystal, extensive O-H?O hydrogen-bonding inter-actions involving the coordinated water mol-ecules and the water mol-ecules of crystallization, as well as the oxygen atoms of the dhbq2- ligands, generate an overall three-dimensional supra-molecular network.

| S-EPMC6323882 | biostudies-other

Bis[hexa-amminecobalt(III)] penta-chloride nitrate.

Project description:The title compound, [Co(NH(3))(6)](2)Cl(5)(NO(3)), was obtained under hydro-thermal conditions. The asymmetric unit contains three Co(3+) ions, one lying on an inversion center and the other two located at 2/m positions. All Co(3+) ions are six-coordinated by NH(3) mol-ecules, forming [Co(NH(3))(6)](3+) octahedra, with Co-N distances in the range 1.945?(4)-1.967?(3)?Å. The nitrate N atom and one of the O atoms lie at a mirror plane. Among the Cl(-) anions, one lies in a general position, one on a twofold axis and two on a mirror plane. N-H?O and N-H?Cl hydrogen bonds link the cations and anions into a three-dimensional network.

| S-EPMC3379055 | biostudies-literature

Crystal structure of bis-(di-methyl-ammonium) hexa-aqua-cobalt(II) bis-(sulfate) dihydrate.

Project description:The title salt, (C2H8N)2[Co(H2O)6)](SO4)2·2H2O, is isotypic with (C2H8N)2[Ni(H2O)6)](SO4)2·2H2O. The Co-O bond lengths in the [Co(H2O)6](2+) complex cation show very similar distances as in the related Tutton salt (NH4)2[Co(H2O)6)](SO4)2 [average 2.093?(17)?Å], but are significantly longer than in the isotypic Ni(II) compound (?d ? 0.04?Å). The cobalt cation reaches an overall bond-valence sum of 1.97 valence units. The S-O distances are nearly equal, ranging from 1.454?(4) to 1.470?(3)?Å [mean 1.465?(12)?Å]; however, the O-S-O angles vary clearly from 108.1?(2) to 110.2?(2)° [average bond angle 109.5?(9)°]. The non-coordinating water mol-ecules and di-methyl-ammonium cations connect the sulfate tetrahedra and the [Co(H2O)6](2+) octa-hedron via O-H?O and N-H?O hydrogen bonds of weak up to medium strength into a three-dimensional framework whereby the complex metal cations and sulfate anions are arranged in sheets parallel to (001).

| S-EPMC4438788 | biostudies-literature

Crystal structure of tris-(ethyl-enedi-ammonium) hexasulfatopraseodymium(III) hexa-hydrate.

Project description:In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the Pr(III) cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol-ecule [range of Pr-O bond lengths 2.383?(3) to 2.582?(3)?Å]. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010). Two crystal water mol-ecules and two ethyl-enedi-ammonium cations (one with point group symmetry -1) connect the sheets via O-H?O and N-H?O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

| S-EPMC4257211 | biostudies-literature

Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.

Project description:Two ytterbium(III) complexes comprising alkynylamidinate ligands, namely bis-(?5-cyclo-penta-dien-yl)(3-cyclo-propyl-N,N'-diiso-propyl-propynamidinato-?2N,N')ytterbium(III), [Yb(C5H5)2(C12H19N2)] or Cp2Yb[( i Pr2N)2C-C?C-c-C3H5] (1) and tris-(3-phenyl-N,N'-di-cyclo-hexyl-propynamidinato-?2N,N')ytterbium(III), [Yb(C21H27N2)3] or Yb[(CyN)2C-C?C-Ph]3 (Cy = cyclo-hex-yl) (2) have been synthesized and structurally characterized. Both complexes are monomers; for complex 2, the contribution to the scattering from highly disordered toluene solvent molecules in these voids was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The stated crystal data for Mr, ? etc. do not take these into account.

| S-EPMC5120694 | biostudies-literature

Poly[hexa-aqua-hexa-kis-(?-pyridine-2,4-dicarboxyl-ato)tricopper(II)dieuropium(III)].

Project description:The asymmetric unit of the title heterometallic coordination polymer, [Cu(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(6)](n), contains one Eu(III) and two Cu(II) atoms, three pyridine-2,4-dicarboxylate (pdc)(2-) anions and three water molecules. One Cu(II) atom is located on an inversion center and is N,O-chelated by two pdc(2-) anions in the equatorial plane and further coordinated by two carboxyl-ate O atoms from another two pdc anions in the axial positions, with an elongated octa-hedral geometry [Cu-O = 2.409?(3)?Å in the axial direction]; the other Cu atom is N,O-chelated by two pdc anions in the coordination basal plane and coordinated by a carboxyl O atom at the apical position with a distorted square-pyramidal geometry [Cu-O = 2.359?(3)?Å in the apical direction]. The Eu atom is eight-coordinated with a distorted square-anti-prismatic geometry formed by five carboxyl-ate O atoms from five pdc anions and three water mol-ecules. The carboxyl-ate anions bridge adjacent Eu and Cu atoms, forming the coordination polymer. Inter- and intra-molecular O-H?O hydrogen bonding occurs in the structure. ?-? stacking further consolidates the crystal structure, the centroid-centroid distance between parallel pyridine rings being 3.367?(2)?Å.

| S-EPMC3011568 | biostudies-literature

Crystal structure of tris-(trans-1,2-cyclo-hexa-ne-diamine-?(2) N,N')chromium(III) tetra-chlorido-zincate chloride trihydrate from synchrotron data.

Project description:The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn is trans-1,2-cyclo-hexa-nedi-amine; C6H14N2), has been determined from synchrotron data. The Cr(III) ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octa-hedral coordination environment. The distorted tetra-hedral [ZnCl4](2-) anion, the isolated Cl(-) anion and three lattice water mol-ecules remain outside the coordination sphere. The Cr-N(chxn) bond lengths are in a narrow range between 2.0737?(12) and 2.0928?(12)?Å; the mean N-Cr-N bite angle is 82.1?(4)°. The crystal packing is stabilized by hydrogen-bonding inter-actions between the amino groups of the chxn ligands and the water mol-ecules as donor groups, and O atoms of the water mol-ecules, chloride anions and Cl atoms of the [ZnCl4](2-) anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4](2-) anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.

| S-EPMC4908525 | biostudies-literature

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