Synthesis and Crystal Structure of [La(BTC)(H_2O)_6]_n  

作　　者：WEN Yi-Hang CHENG Jian-Kai FENG Vun-Long ZHANG Jian LI Zhao-Ji YAO Yuan-Gen 

机构地区：[1]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, The Chinese Academy of Sciences, Fuzhou, Fujian 350002, China [2]Institute of Physical Chemistry, Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Zhejiang Normal University, Jinhua 321004, China [3]Graduate School of the Chinese Academy of Sciences, Beijing 100039, China

出　　处：《Chinese Journal of Structural Chemistry》2005年第12期1440-1444,共5页结构化学（英文）

基　　金：This work was financially supported by the NNSF of China (No. 20173063), the State Key Basic Research and Development Plan of China (001CB108906) and the NSF of Fujian Province (E0020001).

摘　　要：The title compound, [La（BTC）（H2O）6]n1 （H3BTC = benzene-1,3,5-tricarboxylic acid）, has been synthesized by the hydrothermal reaction of La（NO3）3·3H2O with H3BTC and Na2CO3, and its structure was determined by single-crystal X-ray diffraction. The crystal structure is of monoclinic, space group Cc with a = 11.5289（3）, b = 18.0383（7）, c = 7.3507（3） A, β= 119.5680（10）°, V = 1329.59（8）A^3, C9H15LaO12, Mr = 454.12, Z = 4, Dc = 2.269 g/cm^3,μ = 3.280 mm^-1, Flack parameter = 0.07（4）, F（000） = 888, R = 0.0316 and wR = 0.0774 for 1312 observed reflections（I〉 2σ（I））. Complex 1 features a one-dimensional （l-D） parallel ribbon-like structure. There are extensive hydrogen-bonding interactions involving coordinated water molecules and free carboxylate oxygen atoms. In addition, π-π interactions via benzoic multicarboxylate ligands are discussed. These non-covalent interactions lead to the formation of a 3-D framework.The title compound, [La（BTC）（H2O）6]n1 （H3BTC = benzene-1,3,5-tricarboxylic acid）, has been synthesized by the hydrothermal reaction of La（NO3）3·3H2O with H3BTC and Na2CO3, and its structure was determined by single-crystal X-ray diffraction. The crystal structure is of monoclinic, space group Cc with a = 11.5289（3）, b = 18.0383（7）, c = 7.3507（3） A, β= 119.5680（10）°, V = 1329.59（8）A^3, C9H15LaO12, Mr = 454.12, Z = 4, Dc = 2.269 g/cm^3,μ = 3.280 mm^-1, Flack parameter = 0.07（4）, F（000） = 888, R = 0.0316 and wR = 0.0774 for 1312 observed reflections（I〉 2σ（I））. Complex 1 features a one-dimensional （l-D） parallel ribbon-like structure. There are extensive hydrogen-bonding interactions involving coordinated water molecules and free carboxylate oxygen atoms. In addition, π-π interactions via benzoic multicarboxylate ligands are discussed. These non-covalent interactions lead to the formation of a 3-D framework.

关 键 词：hydrothermal reaction ribbon-like non-covalent interactions 

分 类 号：O614.331[理学—无机化学]