Hydrothermal synthesis and crystal structure of a poly[aqua-(μ₄-4-(carboxylatomethyl)benzoato-κ⁴ O:O′:O′′:O′′′)-(μ₂-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ² N:N′) dimanganese(II)], [Mn₂(C₉H₆O₄)₂(C₁₂H₁₁N₅)(H₂O)]

Abstract

C 30 H 25 N5O 9 Mn 2 , monoclinic, P21/c (no. 14), a = 15.5012 (6) CCDC no.: 1560963The asymmetric unit and additional atoms completing the coordination sphere of the manganese atoms is shown in the figure. Source of materialA mixture of Mn(OAc) 2 · 4H 2 O (24.5 mg, 0.1 mmol), homoterephthalic acid (H 2 htpa, 36.0 mg, 0.2 mmol), 1-(imidazolyl)-4-(1,2,4-triazol-1-ylmethyl)benzene (itmb, 22.5 mg, 0.1 mmol) and H 2 O (7 mL) were placed in a 23 mL Teflon-lined autoclave at 393 K for 4 days, then cooled to room temperature. Colourless block crystals were obtained in ca. 86% yield. Elemental analysis calcd. (%) for C 30 H 25 N5O 9 Mn 2 : C, 50.74; H, 3.59; N, 9.88. Found: C, 50.79; H, 3.55; N, 9.87. Experimental detailsAll hydrogen atoms were modelled at their calculated positions and included in the refinement via the riding model. The U iso of the H-atoms were constrained to 1.2 times Ueq of their bonding carbon atoms and 1.5 times Ueq for the hydrogen atoms at water. DiscussionMetal-organic frameworks (MOFs) are one of the most rapidly developing fields in chemical and material sciences and emerging as an important family of porous materials not only because of their fascinating structures, but also due to their excellent properties in the fields of luminescence, magnetism, gas adsorption and catalysis [4][5][6][7][8]. Although rapid