Synthesis And Characterization For Bioinorganic Complexes And The Ab Initio Structure Solution Of The XRD Spectrum

In this paper, we used microwave solid reaction, liquid reaction and solid-liquid reaction to synthetize nine new bioinorganic complexes. In order to study the characterization, composition and structure information of the new complexes respectively, means of analysis methods have been used here, including elemental analysis, XRD analysis and calculation, IR, Raman spectra and the scanning electron microscope (SEM). The results are showed below: The complex of glycylglutamine and blue vitriol belongs to monoclinic system, and its molecular formula is (C7H13O4N3)2(CuSO4)·4.5H2O, with lattice parameters:a=11.6037 nm. b=8.3963 nm, c=5.6518nm,α=90.0°,β=99.1°,γ=90.0°; The complex of N-Acetyl-L-Glutamine and blue vitriol belongs to orthogonal system, and its molecular formula is (NH2COCH2CH2C(COOH)NHCOOH)2(CuSO4)·2.5H2O, with lattice parameters:a =16.4671nm, b=9.1700nm, c=7.6919nm,α=90.0°,β=90.0°,γ=90.0°; The complex of L-Arginine-α-ketoglutarate and copper hydroxide belongs to clinorhomboidal system, and its molecular formula is C17H38N8O11Cu·H2O, space group P-1, with lattice parameters:a= 9.0478nm, b=7.3516nm, c= 6.5809nm,α=111.6°,β=103.4°,γ=102.6°; The complex of L-Arginine-L-pyroglutamate and blue vitriol belongs to clinorhomboidal system, and its molecular formula is 5C6H17N4O7·2Cu, space group P1, with lattice parameters:a= 14.5805nm, b=11.8571 nm, c= 13.8994 nm,α=81.7°,β=117.4°,γ=199.4°; The complex of L-Arginine L-glutamate and zinc acetate belongs to orthogonal system, and its molecular formula is C11H24N2O16·Zn, space group P 21 21 21, with lattice parameters:a=11,1780nm, b=10.4598nm, c= 7.2161nm,α=90.0°,β=90.0°,γ=90.0°; The complex of L-lysine-L-apatate and copper hydroxide belongs to orthogonal system, and its molecular formula is C30H57N7O18·Cu12·20H2O, space group P 2 2 2, with lattice parameters:a=10.2930nm, b=16.1275nm, c= 9.2356nm,α=90.0°,β=90.0°,γ=90.0°; The complex of dimercaptosuccinic acid and bismuth trichloride belongs to monoclinic system, with lattice parameters:a= 1.4616nm, b=1.3629nm, c=1.3919nm,α=90.0°,β=130.5°,γ=90.0°; The complex of the complex of bismuth trichloride and ferrous sulphate belongs to orthogonal system, and its molecular formula is FeSO43.5H2O(C4H6O4S2), with lattice parameters:a=0.8044nm, b= 0.9813nm, c=2.1612 nm,α=90.8°,β=120.8°,γ=121.8°; The complex of nitrilotriacetic acid and blue vitriol belongs to monoclinic system, and its molecular formula is (CuSO4)2(C6H9O6N)7H2O, with lattice parameters:a=15.9552nm, b=7.6721nm, c=14.3311nm,α=90.0°,β=98.0°,γ=90.0°.We used the MS Modeling software to get the ab initio structure solution from the XRD pattern of the complex of L-Arginine-a-ketoglutarate and copper hydroxide. The whole procedure contains pretreatment, indexing, Pawley refinement, identification of space group, structure solution and Rietveld refinement, and finally getting the accurate crystal structure.