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本文合成所得晶体属于空间群c_(2h)~5-P2_1/n。晶胞参数α=10.938,b=19.189,c=13.384,β=105.09。4022个独立衍射数据由四圆衍射仪进行收集,经诸项物理因子校正后,先用直接法SHELXTL程序得出V参数。再由Fourier函数及差值电子密度函数导出全部非氢及氢原子的坐标。经若干轮块矩阵最小二乘法修正后,最终得加权R因子R_W=0.050。结构分析表明:反应过程中,乙二胺与乙酰丙酮已缩合成合七元杂(艹卓)环的衍生物,而每个十钒酸原子簇中的四个质子则为杂(艹卓)分子中的N原子所俘获,钒酸根、环状分子与结晶水之间则通过离子间作用力及氢键相联系。晶胞中所包含化学内容的确切成份为:2[H_2V_(10)O_(28)]~(-4)·8[C_7N_2H_(13)]~(+1)·12H_2O
The synthesized crystals belong to the space group c_ (2h) ~ 5-P2_1 / n. Cell parameters α = 10.938, b = 19.189, c = 13.384, β = 105.09.4022 independent diffraction data collected by the four-circular diffractometer, corrected by various physical factors, the first direct method using SHELXTL program V parameters . Then the coordinates of all non-hydrogen and hydrogen atoms are derived from the Fourier function and the difference electron density function. After some rounds of matrix least squares correction, the final weighted R factor R_W = 0.050. The structural analysis shows that ethylenediamine and acetylacetone have been condensed into seven-membered ring derivatives during the reaction, while the four protons in each of the ten vanadate clusters are hetero- Molecular N atoms captured, vanadate, the ring between the molecules and water through the intermolecular force and hydrogen bonds linked. The exact composition of the chemical elements contained in the unit cell is: 2 [H_2V_ (10) O_ (28)] ~ (-4) · 8 [C_7N_2H_ (13)] ~ (+1) · 12H_2O