TY - JOUR
T1 - Barium oxalates combined with oxo-anions and organic cations
T2 - Syntheses and structures of Ba2(C2O4)(H2PO3)2 and C2H10N2·Ba(H2O)2(HC2O4)4
AU - Iveson, Samuel J.
AU - Johnston, Chloe B.
AU - Harrison, William T.A.
PY - 2011/6/8
Y1 - 2011/6/8
N2 - The syntheses and single-crystal structures of Ba2(C2O4)(H2PO3)2 (1) and C2H10N2•Ba(H2O)2(HC2O4)4 (2) are described. Compound 1is 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 1is substantially twisted about its C-C bond [dihedral angle between the CO2 groups = 33.8 (3)°]. Compound 2is a molecular salt containing ethylenediammonium dications and [Ba(HC2O4)4(H2O)2]2- dianions, which are linked by O-HL⋯O and N-HL⋯O hydrogen bonds. The BaO10 coordination polyhedron can be described as a distorted pentagonal anti-prism. Crystal data: 1(C2H4Ba2O10P2), Mr = 524.68, monoclinic, C2/c (No. 15), Z = 4,a = 12.3829 (3) Å, b = 7.9124 (2) Å, c = 11.0858 (3) Å, b = 114.788 (2)°, V = 986.10 (4) Å3, R(F) = 0.016, wR(F2) = 0.040. 2(C10H18BaN2O10), Mr = 591.60, monoclinic, C2/m (No. 12), Z = 2, a = 12.7393 (7) Å, b = 13.0111 (7) Å, c = 5.6050 (3) Å, b = 104.208 (4)°, V = 900.62 (8) Å3, R(F) = 0.027, wR(F2) = 0.054.
AB - The syntheses and single-crystal structures of Ba2(C2O4)(H2PO3)2 (1) and C2H10N2•Ba(H2O)2(HC2O4)4 (2) are described. Compound 1is 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 1is substantially twisted about its C-C bond [dihedral angle between the CO2 groups = 33.8 (3)°]. Compound 2is a molecular salt containing ethylenediammonium dications and [Ba(HC2O4)4(H2O)2]2- dianions, which are linked by O-HL⋯O and N-HL⋯O hydrogen bonds. The BaO10 coordination polyhedron can be described as a distorted pentagonal anti-prism. Crystal data: 1(C2H4Ba2O10P2), Mr = 524.68, monoclinic, C2/c (No. 15), Z = 4,a = 12.3829 (3) Å, b = 7.9124 (2) Å, c = 11.0858 (3) Å, b = 114.788 (2)°, V = 986.10 (4) Å3, R(F) = 0.016, wR(F2) = 0.040. 2(C10H18BaN2O10), Mr = 591.60, monoclinic, C2/m (No. 12), Z = 2, a = 12.7393 (7) Å, b = 13.0111 (7) Å, c = 5.6050 (3) Å, b = 104.208 (4)°, V = 900.62 (8) Å3, R(F) = 0.027, wR(F2) = 0.054.
KW - Barium
KW - Crystal structure
KW - Hydrogen bonding
KW - Oxalate
KW - Polyhedra
UR - http://www.scopus.com/inward/record.url?scp=84861949895&partnerID=8YFLogxK
U2 - 10.3390/cryst1020059
DO - 10.3390/cryst1020059
M3 - Article
AN - SCOPUS:84861949895
SN - 0267-8292
VL - 1
SP - 59
EP - 68
JO - Crystals
JF - Crystals
IS - 2
ER -