晶体衍射

Part 7 is the conclusion of this paper.The main research in this paper includes:1 The 22 mixed ligand complexes were synthesized in which bipyridine-, phenanthroline 5-nitrophenanthroline , phenanthroline- 5,6-dikentone and biquinoline are the first ligand and chlorine ion phenylalanine, tyosine asparagic radical 2.6-diaminocaproic radical tryptophan , histidine malonate(mal2-) benzyl malonate (bmal2-) phenethtyl malonate (pmal2-) are the second ligand.

本文具体研究内容包括四部分：一、合成了以联吡啶、邻菲啰啉、5—硝基邻菲啰啉、邻菲啰啉-5，6-二酮、联喹啉为第一配体，以Cl~-、苯丙氨酸根、酪氨酸根、天冬氨酸根asp~(2-、赖氨酸根、色氨酸根、组氨酸根、丙二酸根mal~(2-、苄基丙二酸根bmal~(2-和苯乙基丙二酸根pmal~(2-为第二配体的共22个混配配合物，制备了其中6个混配配合物和1个单配体配合物单晶，用X-射线单晶衍射法测定了晶体结构。

The thermal behavior of silver behenate has been studied by infrared spectroscopy, X-ray diffraction, combined thermogravimetry-differential thermal analysis-mass spectrometry. The results indicated that complicated phase transitions took place while heating silver behenate,but there were two distinct thermal transitions. During the first transition at 138°C, the alkyl chains of silver behenate were transformed from an ordered into disordered state.

通过采用粉末X射线衍射、红外光谱、热重-差热分析与质谱联用技术，对山嵛酸银纳米晶体的热行为研究发现，山嵛酸银受热发生了一系列相转变，它有两个明显的突变：即在138℃左右，山嵛酸银的烷基链从高度有序转变为无序状态；在231℃左右，山嵛酸银发生了热分解，其主要分解产物为银纳米粒子和山嵛酸。

In our study, polyimide hybrid films containing bimetalic compounds were prepared by codoping poly with a bariumand titanium precursor prepared from Ba(CH_3COO)_2, Ti_4, and acetic acid followed by casting and thermal curing.

陶瓷粉BTL是由Ba(CH_3COO)_2，Ti_4和乙酸制成的钡钛前驱物，采用溶胶凝胶法合成，并由红外光谱和X-射线衍射图证明，在650℃BTL完全转化为BaTiO_3晶体。 3。通过两步法合成含陶瓷粉的聚酰亚胺复合材料。

Bipyridyl and 1,10-phenanthroline (L3), Cl3SnCH2CH2COORo L (L= L1, a; L2, b; L3, c), formed by low-heating solid-state reaction. The crystal structures of 1 and 2 show that the tin atom adopts a distorted trigonal bipyramid geometry via intramolecular carbonyl oxygen to tin coordination [the distances of Sn-0 bond are 0.2351(6) ran for 1 and 0.2362(3) nm for 2]. Compound 1 belongs to monoclinic with space group P2/c, a = 0.9842(2) nm, b =1. 0923(8) nm, c = 1.23948(11) nm,/?= 93.894(15)°, V= 1.3294(4) ran3, Mr = 366.23, 7 = 4. Compound2 belongs to monoclinic with space group P2{/c, a = 1.04443(9) nm, b = 1.04823(7) nm, c = 1.28113(9) nm,/= 90. 953(8)°, V= 1.40239(19) nm3, Mr = 380.25, Z = 4

利用元素分析、红外光谱、核磁共振对其结构进行了表征，并通过X射线单晶衍射测定了1和2的晶体结构，二者均为具有分子内羰基氧原子配位的畸变三角双锥结构。1属于单斜品系，空间群P21/c， a=0.9842(2)nm，b=1.0923(8)nm，c=1.23948(11)nm，β=93.894(15)°，V=1.3294(4) nm^3，Mr=366.23，Z=4.2属于单斜晶系，空间群P21/c，a=1.04443(9)nm，b=1.04823 (7)nm，c=1.28113(9)nm，β=90.953(8)°，V=1.40239(19)nm^3，Mr=380.25，Z=4。

The Xray diffraction analysis of the compounds (3) and (4) shows the presence of an intramolecular coordination of oxygen to the tin atom giving rise to a fivemembered ring in which the metal exhibits a distorted trigonal bipyramidal geometry.

并通过X-射线衍射测定了（3）和（4）的晶体结构，其空间群均为P2〓/c，晶胞内分子数Z=4，分子结构是以锡原子为中心金属原子、含分子内O→Sn配位键五员环的扭曲三角双锥结构，碳碳双键的两个氢是顺式构型。

The crystal structures of two complexes have been determined by X-ray diffraction as: complex (11) is distorted octahedron configuration,α=15. 9002 (6), b=16. 2413 (5), c=23. 4401 (8)〓,β=90°, V=6053. 2 (4)〓, Z=8 and R=0.0531; complex (8) is trigonal bipyramidal configuration,α=9. 3476 (8), b=17. 4236 (13), c=9. 7836 (8)〓,β=91. 197 (3)°, V=1593. 1 (2)〓, Z=2 and R=0.0325, which shows that three secondary amine groups (N-1, N-2, N-3) of the glycosylamine ligand forms the equatorial plane, and the tertiary amine (N-4) and one Cl〓 are pointed on the apical positions.

分别对其进行X-ray衍射分析可以得出：配合物(11)的晶体数据为α=15.9002(6)，b=16.2413(5)，c=23.4401(8)〓，β=90°，V=6053.2(4)〓，Z=8 and R=0.0531，为畸变的八面体构型，而配合物(8)中，α=9.3476(8)，b=17.4236(13)，c=9.7836(8)〓，β=91.197(3)°，V=1593.1(2)〓，Z=2 andR=0.0325，为三角双锥构型，糖胺配体的三个氮原子（N-1，N-2，N-3）位于赤道平面上，而另外一个氮原子（N-4）和一个Cl〓位于轴向上。

The crystal structures have been determined by single-crystal X-ray diffraction.Cadmium atoms in compounds 1 and 2 show an eight-coordinated distorted square-antiprismatic geometry and a seven-coordinated distorted pentagonal bipyramidal geometryrespectively. Copper atoms in compounds 3 and 4 show a six-coordinated distorted threeprismatic geometry and a four-coordinated distorted tetrahedral geometry respectively.

所有配合物的晶体结构都通过单晶X-射线衍射确定：配合物1中的镉离子周围显示八配位的扭曲四方反棱柱构型；而配合物2中的镉离子周围显示七配位的扭曲五角双锥构型；配合物3中的铜离子周围显示六配位的扭曲三棱柱构型；配合物4中的铜离子周围显示四配位的扭曲四面体构型；配合物5中的锌离子周围显示六配位的扭曲八面体构型。

The structures of drug-target complexes obtained by X-ray crystallography provide direct and convictive evidences for drug design.

利用晶体X射线衍射的方法获得药物与靶标复合物的结构，为药物设计提供最直接有力的依据。

The cleavage facets on the fracture surface of three-point bending specimens at RT were determined crystallographically in an Electron Probe with the EBSD.

利用电子背散射衍射对合金室温弯曲断口中解理刻面的晶体学取向进行了测定。

A novel planar chiral diferrocenylimine-diols 6 was synthesized by the condensation of R, S(subscript p-1-(2-diphenyl hydroxyl methyl) ferrocenylethylamine [R, S(subscript p-4] with phthaldehyde in anhydrous ethanol, and was crystallographically characterized.

通过R，S(下标 p-1-（2-二苯基羟甲基）二茂铁乙胺[R，S(下标 p-4]和对苯二甲醛在无水乙醇中的缩合反应合成了一种新型平面手性双二茂铁亚胺二醇化合物6，并经X-射线衍射分析它的晶体结构。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。