Ab-initio crystal structure of hydroxy adipate of nickel and hydroxy subarate of nickel and cobalt from synchrotron powder diffraction and magnetic properties

摘要

Organic-inorganic hybrid compounds Ni(II)(5)(OH)(6)(C6H8O4)(2) (1), Ni(II)(5)(OH)(6)(C8H12O4)(2) (2) and Co(II)(5)(OH)(6)(C8H12O4)(2) (3) have a similar layered structure as determined ab initio from synchrotron powder diffraction analysis. The metal sites are octahedrally coordinated by 0 atoms. The slabs are built from edge-sharing octahedra in such a way that channels with an average size of 4 angstrom are formed. Bisbidentate and bridging dicarboxylate anions lead to a 3D framework. The compounds (1) and (2) order antiferromagnetically below T-N = 26.5 and 19.3 K, respectively, while (3) is ferrimagnetic with T-c = 16.2K. Crystal data for compounds are as follows: (1) a = 11.6504(1)angstrom, b = 6.8021(3)angstrom, c = 6.3603(1)angstrom, alpha = 73.52(1)degrees, beta = 99:69(1)degrees, gamma = 96.16(1)degrees, R-B = 0.070, 668 reflections; (2) a = 13.9325(1) angstrom, b = 6.7893(1)angstrom, c = 6.3534(4)angstrom, alpha = 73.63(1)degrees, beta = 95.14(1)degrees, gamma = 91.80(1)degrees, R-B = 0.052, 804 reflections; (3) a = 13.9806(1)angstrom, b = 6.9588(1)angstrom, c = 6.3967(1)angstrom, alpha = 73.05(1)degrees, beta = 94.51(1)degrees, gamma = 92.19(1)degrees, R-B = 0.048, 410 reflections. The space group is P-1 for the three compounds.