排序方式: 共有105条查询结果,搜索用时 15 毫秒
1.
The reaction of CdCl2 with 6,7-dicyanodipyridoquinoxaline (DICNQ) by solvothermal reaction gives rise to a coordination polymer [CdCl2(DICNQ)]n 1. Single-crystal X-ray diffraction analysis reveals that the compound in space group Pbcn creates 1-D chloro-bridging chains. Crystal data for 1: a = 6.756(1), b = 35.371(6), c = 7.027(1) , V = 1679.1(5) 3, Z = 4.00, C16H6CdCl2N6, Mr = 465.57, Dc = 1.842 g/cm3, μ = 1.630 mm-1, F(000) = 904, S = 1.005 and T = 293(2) K. The final R = 0.0376 and wR = 0.1029 for 1291 observed reflections with I > 2σ(I), and R = 0.0499 and wR = 0.1125 for all data. The 1-D chloro-bridging chains are parallel-stacked in the a and b directions, and further stabilized through π-stacking interactions, hydrogen-bonding interactions and C≡N···π interactions to generate a 3-D structure. Compound 1 displays intense bluish-green photoluminescence from the intraligand charge-transfer of the DICNQ ligand and the Cl--to-DICNQ charge-transfer mechanism which is probed by the density of states (DOS) calculations. 相似文献
2.
稀土氯化物SmCl3(6H2O与K3Fe(CN)6在水/乙醇/DMSO混合溶剂中反应合成了标题化合物: SmFe(CN)6(DMSO)2(H2O(C10H14N6O3S2FeSm, Mr = 536.59),晶体属单斜晶系,空间群 P2/n,a = 7.759(1), b = 10.673(1),c = 11.014(2)?,β= 97.106(2)(,V = 905.0(2)? 3, Z = 2 , Dc = 1.969 g/cm3, F(000)= 520,R = 0.0474 , wR = 0.0925。该化合物为氰基桥联稀土-过渡金属化合物,稀土离子(Sm3+)为7配位的五角双锥构型。化合物的结构可描述为由方砖铺砌成的楼梯状二维层结构,层之间由氢键连接沿b轴方向堆积而成三维网状结构。 相似文献
3.
4.
5.
A bimetallic complex Ni[C10H8N2]3[ZnCl4] has been synthesized and its crystal structure determined at room temperature. The complex crystallizes in the trigonal system, space group R3c, with a = 13.343(2), b = 13.343(2), c =58. 932(12) A, V= 9087(3) A 3, Z = 12, NiZnC30N6CI14H24, Mr=734.30, Dc=1.611 g/cm3, μ= 1. 799 mm-1, F(000)=4464. Least-squares refinement of the structure leads to the agreement factors R1=0. 0278 and wR2=0. 0741 for the observable reflections. The complex consists of discrete tris (2, 2'-bipyridine) nickel (Ⅱ)cation, [Ni-(bipy)3]2+, and tetrachlorozincate anion, [ZnCl4]2-. Each nickel (Ⅱ)atom is six coordinated in an octahedron with six nitrogen atoms of three 2,2'-bipyridine ligands. The mean Ni(Ⅱ)-N bond length is 2. 089(2) A. The zinc(Ⅱ) atom is coordinated with four chloride atoms in tetrahedral geometry. The mean Zn (Ⅱ)- Cl bond length is 2. 264(1) A. 相似文献
6.
1 INTRODUCTION Halide fluxes are excellent media for growing single crystals of chalcogenides[1~5]. On our research in the Ln-Cu-Zn-Se system to find new phases and to search for potential infrared ceramic materials, two new compounds, KHo2CuSe4 and KEr2CuSe4, were synthesized from the reaction of the precursor with KCl flux[6]. In an attempt to synthesize the homologous sulfide by the same method using KBr as flux in a sealed evacuated quartz tube, single crystals of Ho4S3Si2O7 w… 相似文献
7.
测定了顺式一二氯-1,3-环戊二胺合铂,cis-[Pt(DACP)C1_2]的晶体结构和分子结构,晶体属单斜晶系,空间群为C2/c,a=13.222(3),b=10.697(1),c=13.486(5)°A,β=116.06(2)°,Z=8。利用Patterson法得到Pt原子位置,经差值Fourier合成找到其余非氢原子的位置,用全矩阵最小二乘法修正,最后R因子为0.029。同时进行了cis-[Pt(DACP)C1_2]的振动光谱简正坐标分析,定义了80个内坐标,得到60个频率计算值,与观测值的最大误差为15cm~(-1)。采用U-B力场定义了56个力常数,得到合理的优化结果。根据位能分布进行了各振动频率的归属,並讨论了简正坐标分析中内坐标与力场的关系。 相似文献
8.
Synthesis and Crystal Structure of Ag2(admtrz)2(CF3CO2)2(admtrz=4—amino—3,5—dimethyl—1,2,4—triazole)
1 INTRODUCTION Transition metal complexes bridged by 1, 2, 4-triazole group can produce interesting structures and specific properties[1]. Many attempts have been made to synthesize a variety of complexes with paramagnetic centers by using such ligands, and their structures and magnetic properties have been characterized[2]. However, the polynuclear Ag(I) complexes bridged by 1, 2, 4-triazole have been poorly studied[3]. Recently, we have prepared a series of silver(I) triazole complex… 相似文献
9.
苯并-15-冠-5-四溴合铟(III)酸钾,KInBr~4(C~14H~20O~5)~2,晶体属单斜晶系,空间群为C~2h^5-P2~1/n,晶胞参数a=14.402(3),b=15.082(3),c=17.262(5)A,β=93.42(2),Z=4.非氢原子的位置由Patterson函数及Fourier合成法找出,经全矩阵最小二乘法修正R=0.057.结构分析表明K^+和两个苯并-15-冠-5(B-15-C-5)分子直接配位,对阴离子为InBr~4^-,具有四面体构型.InBr~4^-与配阳离子K(B-15-C-5)~2^+依靠静电引力结合为离子对.由此说明,In(III)在过量KBr存在下可以被B-15-C-5定量地萃取至有机相中. 相似文献
10.