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

ABSTRACT: 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.

SUBMITTER: Wang S

PROVIDER: S-EPMC5120694 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature

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

Wang Sida S Sroor Farid M FM Liebing Phil P Lorenz Volker V Hilfert Liane L Edelmann Frank T FT

Acta crystallographica. Section E, Crystallographic communications 20160802 Pt 9

Two ytterbium(III) complexes comprising alkynylamidinate ligands, namely bis-(η5-cyclo-penta-dien-yl)(3-cyclo-propyl-N,N'-diiso-propyl-propynamidinato-κ2N,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-propynamidi ...[more]

PMID: 27920904

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Project description:The crystal structures of two erbium(III) complexes with 4-amino-benzoic acid (4-ABAH), namely bis-(?2-4-amino-benzoato-?(2) O:O')bis-[bis(4-amino-benzoato-?(2) O,O')di-aqua-erbium(III)] dihydrate, [Er2(C7H6NO2)6(H2O)4]·2H2O, (I), and 4-chloro-3-nitro-benzoic acid (CLNBAH), namely poly[hexa-kis-(?2-4-chloro-3-nitro-benzoato-?(2) O:O')bis-(dimethyl sulfoxide-?O)dierbium(III)], [Er2(C7H3ClNO4)6(C2H6OS)2] n , (II), have been determined. In the structure of solvatomorphic compound (I), the symmetry-related irregular ErO8 coordination polyhedra in the discrete centrosymmetric dinuclear complex comprise two monodentate water mol-ecules and six carboxyl-ate O-atom donors, four from two bidentate carboxyl-ate O,O'-chelate groups and two from the bis-monodentate O:O'-bridging group of the third 4-ABA anion. The Er-O bond-length range is 2.232?(3)-2.478?(3)?Å and the Er?Er separation in the dinuclear complex unit is 4.7527?(4)?Å. One of the coordinating water mol-ecules is involved in an intra-unit O-H?O hydrogen-bonding association with an inversion-related carboxyl-ate O-atom acceptor. In contrast, the anhydrous compound (II) is polymeric, based on centrosymmetric dinuclear repeat units comprising ErO7 coordination polyhedra which involve four O-atom donors from two bidentate O:O'-bridging carboxyl-ate groups, one O-atom donor from the monodentate dimethyl sulfoxide ligand and two O-atom donors from the third bridging CLNBA anion. The latter provides the inter-unit link in the one-dimensional coordination polymer extending along [100]. The Er-O bond-length range in (II) is 2.239?(6)-2.348?(6)?Å and the Er?Er separation within the dinuclear unit is 4.4620?(6)?Å. In the crystal of (I), extensive inter-dimer O-H?O and N-H?O hydrogen-bonding inter-actions involving both the coordinating water mol-ecules and the solvent water mol-ecules, as well as the amine groups of the 4-ABA anions, give an overall three-dimensional network structure. Within this structure are also weak ?-? ring inter-actions between two of the coordinating ligands [ring-centroid separations = 3.676?(3) and 3.711?(2)?Å]. With (II), only weak intra-polymer C-H?O, C-H?Cl and C-H?S inter-actions are present.

Dataset Information

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

Publications

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

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