Startseite Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114
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Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114

  • Jan Fábry EMAIL logo , Erika Samolová und Michal Dušek
Veröffentlicht/Copyright: 17. August 2022
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 237 Heft 8-9

Abstract

There are reported two related structures of Ba5Mg4C54O48H114 (dodeca(aqua-6κ3O,7κ3O,8κ3O,9κ3O)-tris(μ2-propanoato-1:6κ2O,1κO′)-tris(μ-propanoato-2:7κ2O,2κO′-tris(μ-propanoato-3:8κ2O,3κO′)-tris(μ-propanoato-4:9κ2O,4κO′)-hexakis(μ3-propanoato-1:5κ2O,2:5κ2O′;1:5κ2O,3:5κ2O′;1:5κ2O,4:5κ2O′;2:5κ2O,3:5κ2O′;2:5κ2O,4:5κ2O′;3:5κ2O,4:5κ2O′)-pentabarium tetramagnesium), (I), and Pb5Mg4C54O48H114 (dodeca(aqua-1κ3O,2κ3O,3κ3O,4κ3O)-hexakis(μ3-propanoato-1:5κ2O,2:5κ2O′;1:5κ2O,3:5κ2O′;1:5 κ2O,4:5κ2O′;2:5κ2O,3:5κ2O′;2:5κ2O,4:5κ2O′;3:5κ2O,4:5κ2O′)tetramagnesium lead(II) tris(propanoato-κ2O,O′)plumbate(II)), (II). The title structures are compositional isomers which crystallize in the same space group type. The structure of (I) comprises molecules with symmetry  4 ‾ 3 m . The structure (II) comprises the complex cation {Pb(C3H5O2)6[Mg(H2O)3]4}4+ with the symmetry 4 ‾ 3 m and four anions [tris(propanoato-κ2O,O′)plumbate(II)]−, [Pb(C3H5O2)3]− , with 3m symmetry. The central cations Ba12+ and Pb12+ in (I) and in the cation {Pb(C3H5O2)6[Mg(H2O)3]4}4+ of the structure (II), respectively, have similar structural features which are comparable to the environment of the Ba2+ cation in BaCa2(C3H5O2)6 [Stadnicka, K. & Glazer, A. M. (1980). Acta Cryst. B36, 2977–2985]. The molecules in (I) and the ions in (II) are interconnected by Owater‒H⋯Opropanoate hydrogen bonds of a moderate strength. The ethyl chains are disordered which is common in propanoates. However, there are unprecedented features in the title structures: 1) The central atom Pb12+ is the first known example of a Pb2+ cation which is surrounded by six carboxylates in a bidentate bridging mode, i.e. by 12 oxygens. 2) The anion [tris(propanoato-κ2O,O′)plumbate(II)]− has a constitution with unusually prominent stereochemical activity of the 6s2 electron pair of the cation Pb2+ completing the coordination to the tetrahedral one. Thus, its formula can be expressed as [Pb[ψ−4t](C3H5O2)3]−. 3) In both title structures, there are propanoate molecules with disordered carboxylate oxygens.

Keywords: positional disorder of the carboxylate oxygens; positional disorder of the ethyl chains; propanoates; stereochemical 6s2 lone pair activity in Pb2+
Corresponding author: Jan Fábry, Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21 Praha 8, Czech Republic, E-mail:

Funding source: Grant Agency of the Czech Republic

Award Identifier / Grant number: Project No. 19-28594X

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This work was supported by the Czech Science Foundation (Project No. 19-28594X) which was granted to the Institute of Physics of the Academy of Sciences of the Czech Republic.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2021-2074).

Received: 2021-12-08
Accepted: 2022-06-09
Published Online: 2022-08-17
Published in Print: 2022-09-27

© 2022 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Inorganic Crystal Structures (Original Paper)
  4. Crystal structure and magnetic properties of some compounds with GdNi2Ga3In type structure
  5. Partially disordered pyrochlore: time-temperature dependence of recrystallization and dehydration
  6. Lu37Ru16.4In4 – coloring and vacancy formation in a new structure type closely related to a 8 × 8 × 8 bcc superstructure
  7. BaFe0.875Re0.125O3−δ and BaFe0.75Ta0.25O3−δ as potential cathodes for solid-oxide fuel-cells: a structural study from neutron diffraction data
  8. Unbalanced racemates: solid state solutions containing enantiomeric pairs crystallizing in Sohncke space groups with (L:D) ratios other than (1:1) – illustrated with crystals of a Co(III) coordination compound
  9. Crystal structure and specific heat of calcium lanthanide oxyborates Ca4LnO(BO3)3
  10. Order-disorder (OD) structures of Rb2Zn(TeO3)(CO3)·H2O and Na2Zn2Te4O11
  11. Na2Cu+[Cu2+3O](AsO4)2Cl and Cu3[Cu3O]2(PO4)4Cl2: two new structure types based upon chains of oxocentered tetrahedra
  12. Organic and Metalorganic Crystal Structures (Original Paper)
  13. Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114
  14. Layered structures based on antimony tartrate dimers
https://doi.org/10.1515/zkri-2021-2074
Schlagwörter für diesen Artikel
positional disorder of the carboxylate oxygens; positional disorder of the ethyl chains; propanoates; stereochemical 6s2 lone pair activity in Pb2+

Artikel in diesem Heft

  1. Frontmatter
  2. In this issue
  3. Inorganic Crystal Structures (Original Paper)
  4. Crystal structure and magnetic properties of some compounds with GdNi2Ga3In type structure
  5. Partially disordered pyrochlore: time-temperature dependence of recrystallization and dehydration
  6. Lu37Ru16.4In4 – coloring and vacancy formation in a new structure type closely related to a 8 × 8 × 8 bcc superstructure
  7. BaFe0.875Re0.125O3−δ and BaFe0.75Ta0.25O3−δ as potential cathodes for solid-oxide fuel-cells: a structural study from neutron diffraction data
  8. Unbalanced racemates: solid state solutions containing enantiomeric pairs crystallizing in Sohncke space groups with (L:D) ratios other than (1:1) – illustrated with crystals of a Co(III) coordination compound
  9. Crystal structure and specific heat of calcium lanthanide oxyborates Ca4LnO(BO3)3
  10. Order-disorder (OD) structures of Rb2Zn(TeO3)(CO3)·H2O and Na2Zn2Te4O11
  11. Na2Cu+[Cu2+3O](AsO4)2Cl and Cu3[Cu3O]2(PO4)4Cl2: two new structure types based upon chains of oxocentered tetrahedra
  12. Organic and Metalorganic Crystal Structures (Original Paper)
  13. Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114
  14. Layered structures based on antimony tartrate dimers
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