Barium Oxalates Combined with Oxo-Anions and Organic Cations: Syntheses and Structures of Ba2(C2O4)(H2PO3)2 and C2H10N2·Ba(H2O)2(HC2O4)4

Crystals

Samuel J. Iveson¹  Chloe B. Johnston¹ 

[1] id="af1-crystals-01-00059">Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland,

关键词: barium;    oxalate;    crystal structure;    polyhedra;    hydrogen bonding;   

DOI  :  10.3390/cryst1020059

来源: mdpi

【 摘 要 】

The syntheses and single-crystal structures of Ba₂(C₂O₄)(H₂PO₃)₂ (1) and C₂H₁₀N₂·Ba(H₂O)₂(HC₂O₄)₄ (2) are described. Compound 1 is a three-dimensional mixed-anion framework containing BaO₉ coordination polyhedra, which approximate to monocapped square anti-prisms: the connectivity of the BaO₉ units via edges and triangular faces leads to a sheet structure. The oxalate ion in 1 is substantially twisted about its C–C bond [dihedral angle between the CO₂ groups = 33.8 (3)°]. Compound 2 is a molecular salt containing ethylenediammonium dications and [Ba(HC₂O₄)₄(H₂O)₂]^2– dianions, which are linked by O–H⋯O and N–H⋯O hydrogen bonds. The BaO₁₀ coordination polyhedron can be described as a distorted pentagonal anti-prism. Crystal data: 1 (C₂H₄Ba₂O₁₀P₂), M_r = 524.68, monoclinic, C2/c (No. 15), Z = 4, a = 12.3829 (3) Å, b = 7.9124 (2) Å, c = 11.0858 (3) Å, β = 114.788 (2)°, V = 986.10 (4) ų, R(F) = 0.016, wR(F²) = 0.040. 2 (C₁₀H₁₈BaN₂O₁₀), M_r = 591.60, monoclinic, C2/m (No. 12), Z = 2, a = 12.7393 (7) Å, b = 13.0111 (7) Å, c = 5.6050 (3) Å, β = 104.208 (4)°, V = 900.62 (8) ų, R(F) = 0.027, wR(F²) = 0.054.

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