(C₆H₁₄N₂){Zn[ZnB₂P₄O₁₅(OH)₂]·(C₆H₁₃N₂)Cl}:  A New Templated Zincoborophosphate

Abstract

Colorless crystals of (C 6 H 14 N 2 ){Zn[ZnB 2 P 4 O 15 (OH) 2 ]·(C 6 H 13 N 2 )Cl} (1) were prepared from mixtures of ZnCl 2, B 2 O 3, diaza-bicyclo[2.2.2]octane (DABCO), and 85% H 3 PO 4 under mild hydrothermal conditions (170 °C). The crystal structure was determined by single-crystal X-ray diffraction (monoclinic, P 2 1 / c (No. 14), a = 1704.3(1) pm, b = 937.03(5) pm, c = 1619.75(8) pm, β = 96.894(3)°, Z = 2). The crystal structure contains tetrahedral zigzag ribbons, {[ZnB 2 P 4 O 15 (OH) 2 ] 4 - }, running along [010]. Additional ZnO 2 NCl tetrahedra at the borders complete the ribbons by sharing common O-corners with the zincoborophosphate polymer. The nitrogen atoms of the quaternary ZnO 2 NCl tetrahedra belong to monoprotonated (HDABCO) + ions. A second (diprotonated) species, (H 2 DABCO) 2+, acts as a pure template and is fixed to adjacent zincoborophosphate ribbons along [100] via hydrogen bonds. The title compound 1 can be described as an adduct of (C 6 H 14 N 2 ){Zn[ZnB 2 P 4 O 15 (OH) 2 ]} with diaza-bicyclo[2.2.2]octane-hydrochloride. Thermoanalytical and X-ray powder diffraction investigations to high temperatures (740 °C) show the decomposition of 1 and the formation of a NH 4 [ZnBP 2 O 8 ] polymorph as an intermediate.