An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

LnCl3 reacted with C6H5CH2C5H4Na in THF (tetrahydrofuran) in the ratio 1:1 at room temperature for 1 h giving C6H5CH2C6H4LnCl2·nTHF, which reacted with C8H8K2/THF and the crystals obtained were recrystallized in DME to yield the title complex. The crystal structure of (C8H8) Ln (C6H5CH2C5H4)·DME was determined revealing that the Gd complex has one conformation. One benzylcyclopentadienyl (η5), one cyclooctatetraenyl (η8) and the two oxygen atoms of DME (dimethoxyethane) are coordinated to Gd with the effective coordination number of 10.

The title complex of [(Yb(Pro)2(H2O)5Cl3]n has been synthesized. Its IR spectrum from 4000 to 400 cm-1 has been measured and the possible structure of the complex was proposed. The molecular and crystal structure has been determined by the four-circle X-ray diffractometer. The crystal is monoclinic with space group p21. The unit cell parameters are as follows: ��=0.8268(1)nm, B=1.0980(3)nm, c=1.1965(4)nm, B=106.97(2)��, V=1.04120(5)nm3, z=2. Positional and anisotropic thermal parameters have been corrected by the least square method and the final deviation R is 0.0812. The prolines exist in two forms in the complex. One form of proline serves as bridging group connecting neighboring Yb atoms, so that the complex forms a one-dimensional chain of infinitive length. Another form of proline coordinates with Yb atom through one oxygen atom of the carboxyl group. In addition there are five water moleculers coordinating to each Yb atoms. The coordination number of Yb is eight, forming a distorted trigonal-dodecahedral arrangement. The three Cl- anions are in the neighbourhood of NH2 + cations.

The first divalent lanthanide complex [Eu(C 6Me 6] (AlCl 4) 2]��Me 4C 6H 2 containing neutral Ln-arene ��-bonding has been synthesized and characterized by IR, excitation spectrum, luminescence spectrum, Mossbauer spectrum and elemental analysis. The result of X-ray diffraction shows that the cyclotetramer belongs to clinic space, P2 1/c group, with a=1.7652 (4) nm, b=1.5918 (4) nm, c=1.8752(5) mm, ��=97.61 (5)��, Z=2 and V=5.223 nm 3. The final R w converges to 0.0462.

The synthesis and properties of ( Z )-1-(triphenylstannyl)-3-phenyl-1-buten-3-ol (1) are described. Compound 1 crystallizes from alcohol in the monoclinic space group P2 1/c with unit-cell dimensions a =9.296(2), b =14.081(3), c=18.390(5) Å, β=97.70(2), V=2385.5(1) Å 3 , Z =4, F (000)=1008, D c=1.38 g.cm −3 , μ=10.88 cm −1 , final R =0.0359 for 3079 observed reflection [ I > 3σ( I )]. The X-ray diffraction analysis of this compound shows the presence of an intramolecular coordination to the tin atom giving rise to a five-membered ring in which the metal exhibits a distroted trignoal bipyramidal geometry; as a consequence, a phenyl group, probably the apical one, is cleaved more easily by bromine than the vinyl substituent.

Reactions of lanthanoid triiodides (Ln = Sm, Yb) with two or three equivalents of 2-methoxyethylcyclopentadienyl potassium salt in tetrahydrofuran afford bis(2-methoxyethylcyclopentadienyl) lanthanoid iodide complex Cp2′YbI (I) (Cp′ = MeOCH2CH2C5H4), tris(2-methoxyethylcyclopentadienyl) lanthanoid complexes Cp3′Sm (II) and Cp3′Yb (III), respectively. The compound Cp2′YbI (I) crystallizes from THF/hexane in orthorhombic space group P212121 with cell dimensions a = 10.892(2), b = 12.278(3), c = 12.805(5) Å, V = 1712.4 Å3 and Dcalcd = 2.118 g cm−3 for Z = 4. The central metal Yb is coordinated by two Cp′ ring centroids, one iodine atom and two oxygen atoms of Cp′ forming a distorted trigonal bipyramid. The crystal of Cp3′Sm (II) belongs to the monoclinic crystal system, space group P21/n with a = 8.415(7), b = 20.439(3), c = 12.926(2) Å, β = 90.34(3)°, V = 2223.2 Å3, Dcalcd = 1.562 g cm−3 and Z = 4. The three Cp′ ring centroids and two oxygen atoms of Cp′ describe a trigonal bipyramid around the central ion of samarium. Complexes I, II and III are all unsolvated monomeric molecules with higher coordination number.

CH_3C_5H_4LnCl_2·2LiCl·nTHF与2mol的LiNPh_2在THF、已烷和甲苯混合液中反应,经DME萃取,得到[Li·(DME)_3][(η~5-CH_3C_5H_4)Ln(NPh_2)_3](Ln=La,Pr,Nd)。对其进行了元素分析、IR和NMR表征。镧配合物单晶结构测定表明,属单斜晶系,P2_1/a空间群,晶胞参数为α=1.7461(6)nm,b=1.6576(5)nm,c=1.8335(6)nm,β=96.04°,V=5.277um~3,Z=4,D_c=1.26g/cm_3,R=0.057,R_w=0.048。该配合物是一个离子对,La-N和La-C(环)键的平均距离分别为0.2459(8)和 0.2843(11)nm。稀土离子形成一个六配位的扭曲四面体。

> The reaction of MeCpLnCl·2LiCl·nTHF with 2 equivalent of LiNPh 2 in THF,hexane andtoluene mixture solution gives the new complex[Li（DME） 2 ][（η 5 -MeCp）Ln（NPh 2 ） 3 ]（Ln=La,Pr,Nd）byextraction with DME.They have been characterized by elemental analysis,IR and NMR.The La complexcrystallizes in the monoclinic space group P2 1 /c with α=1.8335（6）nm,b=1.6576（5）nm,c=1.7461（6）nm,β=96.04°,V=5.277 nm 2 ,Z=4,D c =1.26g·cm -3 ,R=0.057 and R w =0.048(1≥2.5σ（I_o）)for 3378 reflec-tions.The complex consists of a pair of a cation and an anion.La 3+ is coordinated by onemethylcyclopentadienyl and three diphenylamidos to form six-coordinate pseudotetrahedron with the meanLn-N and La-C（ring）distances of 0.2459（8）and 0.2843（11）nm,respectively.

Reactions of lanthanoid triiodides (Ln = Sm, Yb) with two or three equivalents of 2-methoxyethylcyclopentadienyl potassium salt in tetrahydrofuran afford bis(2-methoxyethylcyclopentadienyl) lanthanoid iodide complex Cp2′YbI (I) (Cp′ = MeOCH2CH2C5H4), tris(2-methoxyethylcyclopentadienyl) lanthanoid complexes Cp3′Sm (II) and Cp3′Yb (III), respectively. The compound Cp2′YbI (I) crystallizes from THF/hexane in orthorhombic space group P212121 with cell dimensions a = 10.892(2), b = 12.278(3), c = 12.805(5) Å, V = 1712.4 Å3 and Dcalcd = 2.118 g cm−3 for Z = 4. The central metal Yb is coordinated by two Cp′ ring centroids, one iodine atom and two oxygen atoms of Cp′ forming a distorted trigonal bipyramid. The crystal of Cp3′Sm (II) belongs to the monoclinic crystal system, space group P21/n with a = 8.415(7), b = 20.439(3), c = 12.926(2) Å, β = 90.34(3)°, V = 2223.2 Å3, Dcalcd = 1.562 g cm−3 and Z = 4. The three Cp′ ring centroids and two oxygen atoms of Cp′ describe a trigonal bipyramid around the central ion of samarium. Complexes I, II and III are all unsolvated monomeric molecules with higher coordination number.

> The reaction of NdCl 3 with lithium methylnaphthalene in 1:2 mole ratio in THF generates black powder.The powder reacts with cyclooctatetraene（COT）in THF to form the title complex.[Li（THF） 4 Nd（C 8 H 8 ） 2 ]·2THF crystallizes in the monoclinic space group P2/c with unit-cell dimensions a=1.7858（7）nm,h=1.3243（4）nm,c=1.8086（6）nm.β=106.52（4）°,V=4.10 nm 3 and D c =1.268 g/cm 3 for Z=4.F（000）=1660,R=0.0774,R_n=0.0733.The complex consists of discrete ion-pair and two THF moleculesadduct.In the anion,the neodymium atom is coordinated by two COT rings.The structure of the cation showsthat the lithium atom is attached with THF molecules only.

The reaction of ErCl3 with one equivalent of C5H9C5H4Na generates the complex {[(C5H9C5H4)Er(THF)]2(mu2-Cl)3(mu3-Cl)2Na(THF)2}.THF, which crystallizes from hexane/THF. The X-ray crystal structure determination shows that each erbium is surrounded by one C5H9C5H4 ligand, two mu3-Cl, two mu2-Cl and one THF in a distorted octahedral arrangement.

Reaction of lanthanide trichlorides with two equivalents of sodium t-butylcyclopentadienide in THF gave rise to the bis(t-butylcyclopentadienyl)lanthanide chloride complexes [(Bu(t)Cp)2LnCl]2 (Ln = Pr, Gd, Er), which were characterized by elemental analysis, IR and H-1 NMR spectroscopy. In addition, the crystal structures of [(ButCp)2PrCl]2 (1) and [(ButCp)2GdCl]2 (2) were determined by single crystal X-ray diffraction at room temperature. The coordination number for Pr3+ and Gd3+ is 8 and the bond lengths Pr-Cl and Gd-Cl are 2.864(2) and 2.771(3) angstrom, respectively. The structural studies showed the complexes to have C2h symmetry.