Influence of Ligand Geometry on the Formation of In−O Chains in Metal-Oxide Organic Frameworks (MOOFs) Marie Vougo-Zanda Xiqu Wang Allan J. Jacobson 10.1021/ic701126t.s005 https://acs.figshare.com/articles/dataset/Influence_of_Ligand_Geometry_on_the_Formation_of_In_O_Chains_in_Metal_Oxide_Organic_Frameworks_MOOFs_/2980924 Three indium-oxide organic frameworks, In<sub>2</sub>O(1,3-BDC)<sub>2</sub>, <b>1</b>; In(OH)(2,6-NDC)(H<sub>2</sub>O), <b>2</b>; and In(OH)(2,7-NDC)(H<sub>2</sub>O), <b>3</b> (BDC = benzene dicarboxylic acid and NDC = naphthalene dicarboxylic acid), were synthesized and characterized by thermogravimetric analysis, infrared spectroscopy, and single-crystal X-ray diffraction. Previously, we reported the structure of In(OH)(1,4-BDC)·(0.75H<sub>2</sub>BDC), <b>0</b>, where the framework is built by interconnecting In−OH−In chains with the BDC anions to form large diamond-shaped one-dimensional channels filled with guest molecules. Compounds <b>0</b>−<b>3</b> all contain In−O(H) chains, but the coordination and geometry depend on the nature of the dicarboxylate ligand. Compound <b>0</b> contains In−O octahedral centers that connect to form a single trans octahedral chain, while in compound <b>1</b>, they connect to form a more complex double chain of octahedra. Both compounds <b>2</b> and <b>3</b> contain chains of connected pentagonal bipyramidal InO<sub>6</sub>(OH<sub>2</sub>) units. In <b>2</b>, these units share trans vertices that are cross-linked by chelating 2,6-NDC anions, whereas in compound <b>3</b>, cis vertices are shared to form chains that are linked by the 2,7-NDC anions. 2007-10-15 00:00:00 thermogravimetric analysis compound 1 compound 3 pentagonal bipyramidal InO 6 benzene dicarboxylic acid dicarboxylate ligand form chains Ligand Geometry trans octahedral chain MOOF Compound 0 units share trans vertices compounds 2 NDC cis vertices OH 2 BDC anions guest molecules