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合成了含四氮杂大环hmta(hmta = meso-5,7,7,12,14,14-六甲基-1,4,8,11-四氮杂环十四烷 )和O,O-二(2-苯乙基)二硫代磷酸根的配合物 [Ni(hmta){SSP(OCH2CH2Ph)2}2] 1和 [Cu(hmta){SSP(OCH2CH2Ph)2}2] 2 , 并测定了它们的晶体结构。配合物1属单斜晶系,空间群为P21/c,晶胞参数为: C48H72N4O4P2S4Ni, a = 9.827(3), b = 19.430(6), c = 13.932(3) ? b = 99.99(2), Mr = 1017.99, V = 2620(1) 3, Z = 2, Dc = 1.285 g/cm3, = 0.635 mm-1, F(000) = 1076, 最终的偏离因子为R = 0.0434, wR = 0.1078, 相应的可观测反射数为2306; 配合物2属单斜晶系, 空间群为P21/c, 晶胞参数为: C48H72N4O4P2S4CuO25, a = 9.730(4), b = 19.513(4), c = 14.031(3) ? b = 99.97(3), Mr = 1022.82, V = 2624 (1) 3, Z = 2, Dc = 1.295 g/cm3, = 0.681 mm-1, F(000) = 1086, 最终的偏离因子为R = 0.0465, wR = 0.1222, 相应的可观测反射数为2492。结构测定表明:两配合物中的配体 (PhCH2CH2O)2PS2-均为单齿配体,金属离子与硫和氮形成了六配位的拉长的八面体配合物,配合物分子具有中心对称性; 同时晶胞中配合物的两配体之间形成了2种N-H贩稴氢键。
Synthesis of a tetraazamacrocyclic hmta (hmta = meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane) and O, O (Ni (hmta) {SSP (OCH2CH2Ph) 2} 2] 1 and [Cu (hmta) {SSP (OCH2CH2Ph) 2} 2] 2 with di (2-phenylethyl) Their crystal structures were determined. The complex 1 belongs to the monoclinic system with space group P21 / c. The unit cell parameters are C48H72N4O4P2S4Ni, a = 9.827 (3), b = 19.430 (6), c = 13.932 (3) , The final deviation factor is R = 0.0434, wR = 0.1078, V = 2620 (1) 3, Z = 2, Dc = 1.285 g / cm3, = 0.635 mm- The corresponding observable reflectance is 2306. The complex 2 belongs to the monoclinic system with space group P21 / c. The unit cell parameters are C48H72N4O4P2S4CuO25, a = 9.730 (4), b = 19.513 (4) and c = 14.031 3)? B = 99.97 (3), Mr = 1022.82, V = 2624 (1) 3, Z = 2, Dc = 1.295 g / cm3, = 0.681 mm-1, F (000) = 1086 and the final deviation factor For R = 0.0465, wR = 0.1222, the corresponding observable reflectance is 2492. The structure determination showed that the ligands (PhCH2CH2O) 2PS2- in both complexes were monodentate ligands, and the metal ions formed six-coordinated elongated octahedral complexes with sulfur and nitrogen. The complex molecules have central symmetry ; At the same time, two NH ligands were formed between the two ligands in the unit cell.