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N. V. Pervukhina N. V. Podberezskaya L. G. Lavrenova 《Journal of Structural Chemistry》1995,36(1):138-145
The crystal structure of monoaquatetra(3,5-dimethylpyrazole)copper(II) nitrate [Cu(C5H8N2)4(H2O)]×(NO3)2 is determined (Syntex P21 automated diffractometer, θ/2θ scan mode within the 2θ range 3–55° at a variable rate, Vmin=5 deg/min, λMoKα graphite monochromator, 5170/2349 measured/observed Ihk1, absorption taken into account experimentally, Raniso=0.069). The parameters of the monoclinic unit cell are as follows: a=23.569(4), b=8.177(2), c=17.250(6) Å, β=121.65(2)°, V=2830(2) Å3, Z=4C20H34CuN10O7, dcalc=1.388 g/cm3. The space group P21 was chosen by the process of structure solution and refinement. The structure is of island type. The complex cations [CuL4(H2O)]2+ and the (NO3)? anions form mixed layers in the planes parallel to (010) at y?0.36 and 0.87. The central atoms of two crystallographically independent complex cations [CuL4(H2O)]2+ are surrounded with five atoms (OH 2 O+4N) with average Cu?OH 2 O and Cu?N distances of 2.23(2) and 2.04(4), respectively, which form distorted trigonal bipyramids. The average bond lengths in the pyrazole rings are the following: N?N=1.40, N?C=1.40, (C?C)ring=1.42, and Cring?CMe=1.50 Å. 相似文献
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